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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:37:02 UTC

HMDB ID

HMDB0000572

Secondary Accession Numbers

HMDB00572

Metabolite Identification

Common Name

Desmosine

Description

Desmosine is formed by condensation of four molecules of lysine into a pyridinium ring. Elastin molecules aggregate in the extracellular space where they are crosslinked by stable desmosine bridges. The resulting polymer is structurally organized as branched fibers and lamellae, which, in skin, are wider (a few microns) in the deep dermis and become progressively thinner (fraction of a micron) towards the papillary dermis. Several general and local factors seem to regulate elastin gene expression, deposition and degradation. (PMID: 9297692 ). Desmosines are crosslinking amino acids unique to mature elastin in humans. Owing to this unicity, they have been discussed as potentially indicators of connective tissue disorders whose clinical manifestations are mostly the result of elastin degradation. (PMID: 17390614 ). Emphysema (Pulmonary emphysema is a devastating disease for which there is no effective treatment) is associated with degradation of elastic fibers (PMID: 14704646 ). It has been shown that the urinary concentration of elastin specific crosslinks, desmosine correlates well with liver fibrosis score in biopsy specimens from patients with liver disease secondary to hepatitis C virus and alcohol. (PMID: 10996125 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652309042017112D          

 37 37  0  0  0  0            999 V2000
10009.972710012.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.258210012.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.552110012.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.552110011.6937    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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10011.403610011.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.837610011.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.266510011.2802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10009.258210013.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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10012.118310013.7674    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  7  1  0  0  0  0
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  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 15 10  1  1  0  0  0
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 13 17  1  1  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 18 23  1  0  0  0  0
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 23 26  1  0  0  0  0
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 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
  1 34  1  0  0  0  0
 33  5  1  0  0  0  0
 35  6  1  0  0  0  0
 37 14  1  0  0  0  0
M  CHG  1  37   1
M  END

HMDB0000572
     RDKit          3D
Desmosine
 77 77  0  0  0  0  0  0  0  0999 V2000
    7.1740    0.0098    2.2059 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0774   -1.0566    1.2354 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -1.2104    4.9697   -3.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4173   -1.9688    0.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3752    0.9596    1.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6504    1.3152   -0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4962   -0.3968   -0.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119   -0.9204    1.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0494    0.8286    1.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4296    2.2333    0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0578    2.9283    0.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2182    3.2449   -1.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8801    5.2905   -0.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 12 14  1  0
 14 15  2  0
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  9 17  2  0
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 17 26  1  0
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 31 32  2  0
 31 33  1  0
 26 34  2  0
  2 35  1  0
 35 36  2  0
 35 37  1  0
 34  7  1  0
  1 38  1  0
  1 39  1  0
  2 40  1  1
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  3 42  1  0
  4 43  1  0
  4 44  1  0
  5 45  1  0
  5 46  1  0
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  8 49  1  0
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 11 52  1  0
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 12 54  1  1
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 13 56  1  0
 16 57  1  0
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 20 63  1  0
 21 64  1  1
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 22 66  1  0
 25 67  1  0
 27 68  1  0
 27 69  1  0
 28 70  1  0
 28 71  1  0
 29 72  1  6
 30 73  1  0
 30 74  1  0
 33 75  1  0
 34 76  1  0
 37 77  1  0
M  CHG  1   7   1
M  END


  Mrv1652309042017112D          

 37 37  0  0  0  0            999 V2000
10009.972710012.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.258210012.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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10011.403610011.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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10009.266510011.2802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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10010.695410011.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 15 10  1  1  0  0  0
 13 16  1  0  0  0  0
 13 17  1  1  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  6  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
  1 34  1  0  0  0  0
 33  5  1  0  0  0  0
 35  6  1  0  0  0  0
 37 14  1  0  0  0  0
M  CHG  1  37   1
M  END
> <DATABASE_ID>
HMDB0000572

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(O)=O)=C(CCC[C@H](N)C(O)=O)C(CC[C@H](N)C(O)=O)=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C24H39N5O8/c25-17(21(30)31)5-1-2-11-29-12-14(7-9-19(27)23(34)35)16(4-3-6-18(26)22(32)33)15(13-29)8-10-20(28)24(36)37/h12-13,17-20H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1/t17-,18-,19-,20-/m0/s1

> <INCHI_KEY>
VEVRNHHLCPGNDU-MUGJNUQGSA-O

> <FORMULA>
C24H40N5O8

> <MOLECULAR_WEIGHT>
526.61

> <EXACT_MASS>
526.287139688

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
56.094880773380915

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,5-bis[(3S)-3-amino-3-carboxypropyl]-4-[(4S)-4-amino-4-carboxybutyl]-1-[(5S)-5-amino-5-carboxypentyl]pyridin-1-ium

> <ALOGPS_LOGP>
-4.54

> <JCHEM_LOGP>
-13.232009412345015

> <ALOGPS_LOGS>
-4.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
1.4880650285794164

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.0354433599207225

> <JCHEM_PKA_STRONGEST_BASIC>
10.12359416098955

> <JCHEM_POLAR_SURFACE_AREA>
257.15999999999997

> <JCHEM_REFRACTIVITY>
133.52609999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.15e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
desmosine

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000572
     RDKit          3D
Desmosine
 77 77  0  0  0  0  0  0  0  0999 V2000
    7.1740    0.0098    2.2059 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0774   -1.0566    1.2354 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5840   -1.1669    0.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2157    0.1732    0.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    0.2612   -0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9084    0.0559    1.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5075    0.1570    0.6472 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.8822    1.3418    0.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4579    1.4398    0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0141    2.7808    0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8672    3.1881   -1.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4205    4.5704   -1.6226 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8475    4.6558   -1.2891 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2104    4.9697   -3.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0179    4.9130   -3.4616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2284    5.3897   -3.8848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1667    0.3161   -0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5788    0.3712   -0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2924    0.3397    0.9557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7738    0.4016    0.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3176    0.3650    2.2698 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8988   -0.8512    2.9128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7919    0.4550    2.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3629    1.4514    1.6343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5958   -0.5692    2.5942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5233   -0.8966   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2153   -2.1024   -0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2967   -3.2047   -1.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2624   -4.3501   -1.3720 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9233   -4.7372   -0.1656 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994   -5.4592   -2.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6137   -6.6123   -1.5906 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0707   -5.2746   -3.2836 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8020   -0.9371    0.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8603   -0.6524    0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9051   -1.4308   -0.9406 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5426    0.5647   -0.0109 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6318    0.8387    1.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7164   -0.3266    3.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4246   -2.0117    1.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0614   -1.3843    1.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4173   -1.9688    0.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3752    0.9596    1.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8257    0.3718   -0.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6504    1.3152   -0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4962   -0.3968   -0.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119   -0.9204    1.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0494    0.8286    1.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4296    2.2333    0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3812    3.5214    0.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0578    2.9283    0.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3179    2.4987   -2.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2182    3.2449   -1.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8801    5.2905   -0.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3808    5.2105   -2.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2371    3.6842   -1.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9871    5.8523   -4.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0545   -0.4227   -0.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9390    1.3195   -0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9358   -0.5906    1.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9040    1.1680    1.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0579    1.3551    0.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1356   -0.4958    0.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8993    1.2195    2.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2717   -0.6650    3.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6560   -1.4856    3.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7475   -0.6496    3.5893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8373   -1.8459   -1.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8906   -2.5668    0.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4136   -3.5582   -0.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1896   -2.9222   -1.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0565   -3.9706   -2.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9001   -4.3358   -0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9787   -5.7757   -0.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0942   -5.9158   -4.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3666   -1.8782    0.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923    1.3770   -0.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
  9 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 23 25  1  0
 17 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 31 33  1  0
 26 34  2  0
  2 35  1  0
 35 36  2  0
 35 37  1  0
 34  7  1  0
  1 38  1  0
  1 39  1  0
  2 40  1  1
  3 41  1  0
  3 42  1  0
  4 43  1  0
  4 44  1  0
  5 45  1  0
  5 46  1  0
  6 47  1  0
  6 48  1  0
  8 49  1  0
 10 50  1  0
 10 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  1
 13 55  1  0
 13 56  1  0
 16 57  1  0
 18 58  1  0
 18 59  1  0
 19 60  1  0
 19 61  1  0
 20 62  1  0
 20 63  1  0
 21 64  1  1
 22 65  1  0
 22 66  1  0
 25 67  1  0
 27 68  1  0
 27 69  1  0
 28 70  1  0
 28 71  1  0
 29 72  1  6
 30 73  1  0
 30 74  1  0
 33 75  1  0
 34 76  1  0
 37 77  1  0
M  CHG  1   7   1
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0    8685.2828690.052   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8683.9498690.826   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8682.6318690.037   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8682.6318688.495   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8685.2828693.132   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8687.9538688.514   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8681.2978687.723   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0    8683.9648687.723   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0    8683.9498692.366   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8686.6318687.723   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0    8679.9638688.495   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8681.2978686.183   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0    8682.6158693.132   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8690.6218693.132   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8686.6318686.183   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8681.2978692.343   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0    8682.6158694.672   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0    8691.9538692.366   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8687.9658685.415   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0    8685.3028685.415   0.000  0.00  0.00           N+0
HETATM   21  O   UNK     0    8679.9638693.113   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0    8681.2978690.803   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0    8693.2898693.132   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0    8689.2978686.183   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0    8687.9658683.875   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0    8694.6218692.366   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8695.9578693.132   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8697.2898692.366   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0    8695.9578694.672   0.000  0.00  0.00           N+0
HETATM   30  O   UNK     0    8698.6218693.132   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0    8697.2898690.826   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0    8687.9528693.137   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0    8686.6178692.366   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0    8686.6178690.824   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0    8687.9528690.053   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0    8689.2878690.824   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0    8689.2878692.366   0.000  0.00  0.00           N+1
CONECT    1    2   34                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    7    8                                                  
CONECT    5    9   33                                                       
CONECT    6   10   35                                                       
CONECT    7    4   11   12                                                  
CONECT    8    4                                                            
CONECT    9    5   13                                                       
CONECT   10    6   15                                                       
CONECT   11    7                                                            
CONECT   12    7                                                            
CONECT   13    9   16   17                                                  
CONECT   14   18   37                                                       
CONECT   15   10   19   20                                                  
CONECT   16   13   21   22                                                  
CONECT   17   13                                                            
CONECT   18   14   23                                                       
CONECT   19   15   24   25                                                  
CONECT   20   15                                                            
CONECT   21   16                                                            
CONECT   22   16                                                            
CONECT   23   18   26                                                       
CONECT   24   19                                                            
CONECT   25   19                                                            
CONECT   26   23   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27   30   31                                                  
CONECT   29   27                                                            
CONECT   30   28                                                            
CONECT   31   28                                                            
CONECT   32   33   37                                                       
CONECT   33   32   34    5                                                  
CONECT   34   33   35    1                                                  
CONECT   35   34   36    6                                                  
CONECT   36   35   37                                                       
CONECT   37   36   32   14                                                  
MASTER        0    0    0    0    0    0    0    0   37    0   74    0
END

COMPND    HMDB0000572
HETATM    1  N1  UNL     1       7.174   0.010   2.206  1.00  0.00           N  
HETATM    2  C1  UNL     1       7.077  -1.057   1.235  1.00  0.00           C  
HETATM    3  C2  UNL     1       5.584  -1.167   0.873  1.00  0.00           C  
HETATM    4  C3  UNL     1       5.216   0.173   0.295  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.777   0.261  -0.112  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.908   0.056   1.088  1.00  0.00           C  
HETATM    7  N2  UNL     1       1.507   0.157   0.647  1.00  0.00           N1+
HETATM    8  C6  UNL     1       0.882   1.342   0.607  1.00  0.00           C  
HETATM    9  C7  UNL     1      -0.458   1.440   0.218  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.014   2.781   0.111  1.00  0.00           C  
HETATM   11  C9  UNL     1      -0.867   3.188  -1.365  1.00  0.00           C  
HETATM   12  C10 UNL     1      -1.420   4.570  -1.623  1.00  0.00           C  
HETATM   13  N3  UNL     1      -2.848   4.656  -1.289  1.00  0.00           N  
HETATM   14  C11 UNL     1      -1.210   4.970  -3.034  1.00  0.00           C  
HETATM   15  O1  UNL     1      -0.018   4.913  -3.462  1.00  0.00           O  
HETATM   16  O2  UNL     1      -2.228   5.390  -3.885  1.00  0.00           O  
HETATM   17  C12 UNL     1      -1.167   0.316  -0.130  1.00  0.00           C  
HETATM   18  C13 UNL     1      -2.579   0.371  -0.418  1.00  0.00           C  
HETATM   19  C14 UNL     1      -3.292   0.340   0.956  1.00  0.00           C  
HETATM   20  C15 UNL     1      -4.774   0.402   0.837  1.00  0.00           C  
HETATM   21  C16 UNL     1      -5.318   0.365   2.270  1.00  0.00           C  
HETATM   22  N4  UNL     1      -4.899  -0.851   2.913  1.00  0.00           N  
HETATM   23  C17 UNL     1      -6.792   0.455   2.146  1.00  0.00           C  
HETATM   24  O3  UNL     1      -7.363   1.451   1.634  1.00  0.00           O  
HETATM   25  O4  UNL     1      -7.596  -0.569   2.594  1.00  0.00           O  
HETATM   26  C18 UNL     1      -0.523  -0.897  -0.091  1.00  0.00           C  
HETATM   27  C19 UNL     1      -1.215  -2.102  -0.477  1.00  0.00           C  
HETATM   28  C20 UNL     1      -0.297  -3.205  -1.037  1.00  0.00           C  
HETATM   29  C21 UNL     1      -1.262  -4.350  -1.372  1.00  0.00           C  
HETATM   30  N5  UNL     1      -1.923  -4.737  -0.166  1.00  0.00           N  
HETATM   31  C22 UNL     1      -0.599  -5.459  -2.068  1.00  0.00           C  
HETATM   32  O5  UNL     1      -0.614  -6.612  -1.591  1.00  0.00           O  
HETATM   33  O6  UNL     1       0.071  -5.275  -3.284  1.00  0.00           O  
HETATM   34  C23 UNL     1       0.802  -0.937   0.299  1.00  0.00           C  
HETATM   35  C24 UNL     1       7.860  -0.652   0.043  1.00  0.00           C  
HETATM   36  O7  UNL     1       7.905  -1.431  -0.941  1.00  0.00           O  
HETATM   37  O8  UNL     1       8.543   0.565  -0.011  1.00  0.00           O  
HETATM   38  H1  UNL     1       7.632   0.839   1.780  1.00  0.00           H  
HETATM   39  H2  UNL     1       7.716  -0.327   3.018  1.00  0.00           H  
HETATM   40  H3  UNL     1       7.425  -2.012   1.664  1.00  0.00           H  
HETATM   41  H4  UNL     1       5.061  -1.384   1.812  1.00  0.00           H  
HETATM   42  H5  UNL     1       5.417  -1.969   0.125  1.00  0.00           H  
HETATM   43  H6  UNL     1       5.375   0.960   1.067  1.00  0.00           H  
HETATM   44  H7  UNL     1       5.826   0.372  -0.617  1.00  0.00           H  
HETATM   45  H8  UNL     1       3.650   1.315  -0.514  1.00  0.00           H  
HETATM   46  H9  UNL     1       3.496  -0.397  -0.943  1.00  0.00           H  
HETATM   47  H10 UNL     1       3.112  -0.920   1.537  1.00  0.00           H  
HETATM   48  H11 UNL     1       3.049   0.829   1.863  1.00  0.00           H  
HETATM   49  H12 UNL     1       1.430   2.233   0.881  1.00  0.00           H  
HETATM   50  H13 UNL     1      -0.381   3.521   0.656  1.00  0.00           H  
HETATM   51  H14 UNL     1      -2.058   2.928   0.334  1.00  0.00           H  
HETATM   52  H15 UNL     1      -1.318   2.499  -2.063  1.00  0.00           H  
HETATM   53  H16 UNL     1       0.218   3.245  -1.619  1.00  0.00           H  
HETATM   54  H17 UNL     1      -0.880   5.291  -0.980  1.00  0.00           H  
HETATM   55  H18 UNL     1      -3.381   5.211  -2.003  1.00  0.00           H  
HETATM   56  H19 UNL     1      -3.237   3.684  -1.265  1.00  0.00           H  
HETATM   57  H20 UNL     1      -1.987   5.852  -4.742  1.00  0.00           H  
HETATM   58  H21 UNL     1      -3.054  -0.423  -0.970  1.00  0.00           H  
HETATM   59  H22 UNL     1      -2.939   1.319  -0.921  1.00  0.00           H  
HETATM   60  H23 UNL     1      -2.936  -0.591   1.462  1.00  0.00           H  
HETATM   61  H24 UNL     1      -2.904   1.168   1.560  1.00  0.00           H  
HETATM   62  H25 UNL     1      -5.058   1.355   0.395  1.00  0.00           H  
HETATM   63  H26 UNL     1      -5.136  -0.496   0.309  1.00  0.00           H  
HETATM   64  H27 UNL     1      -4.899   1.219   2.853  1.00  0.00           H  
HETATM   65  H28 UNL     1      -4.272  -0.665   3.702  1.00  0.00           H  
HETATM   66  H29 UNL     1      -5.656  -1.486   3.196  1.00  0.00           H  
HETATM   67  H30 UNL     1      -7.747  -0.650   3.589  1.00  0.00           H  
HETATM   68  H31 UNL     1      -1.837  -1.846  -1.401  1.00  0.00           H  
HETATM   69  H32 UNL     1      -1.891  -2.567   0.216  1.00  0.00           H  
HETATM   70  H33 UNL     1       0.414  -3.558  -0.273  1.00  0.00           H  
HETATM   71  H34 UNL     1       0.190  -2.922  -1.964  1.00  0.00           H  
HETATM   72  H35 UNL     1      -2.057  -3.971  -2.076  1.00  0.00           H  
HETATM   73  H36 UNL     1      -2.900  -4.336  -0.080  1.00  0.00           H  
HETATM   74  H37 UNL     1      -1.979  -5.776  -0.018  1.00  0.00           H  
HETATM   75  H38 UNL     1      -0.094  -5.916  -4.048  1.00  0.00           H  
HETATM   76  H39 UNL     1       1.367  -1.878   0.350  1.00  0.00           H  
HETATM   77  H40 UNL     1       8.192   1.377  -0.492  1.00  0.00           H  
CONECT    1    2   38   39
CONECT    2    3   35   40
CONECT    3    4   41   42
CONECT    4    5   43   44
CONECT    5    6   45   46
CONECT    6    7   47   48
CONECT    7    8    8   34
CONECT    8    9   49
CONECT    9   10   17   17
CONECT   10   11   50   51
CONECT   11   12   52   53
CONECT   12   13   14   54
CONECT   13   55   56
CONECT   14   15   15   16
CONECT   16   57
CONECT   17   18   26
CONECT   18   19   58   59
CONECT   19   20   60   61
CONECT   20   21   62   63
CONECT   21   22   23   64
CONECT   22   65   66
CONECT   23   24   24   25
CONECT   25   67
CONECT   26   27   34   34
CONECT   27   28   68   69
CONECT   28   29   70   71
CONECT   29   30   31   72
CONECT   30   73   74
CONECT   31   32   32   33
CONECT   33   75
CONECT   34   76
CONECT   35   36   36   37
CONECT   37   77
END

HMDB0000572
     RDKit          3D
Desmosine
 77 77  0  0  0  0  0  0  0  0999 V2000
    7.1740    0.0098    2.2059 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0774   -1.0566    1.2354 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5840   -1.1669    0.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2157    0.1732    0.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    0.2612   -0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9084    0.0559    1.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5075    0.1570    0.6472 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.8822    1.3418    0.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4579    1.4398    0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0141    2.7808    0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8672    3.1881   -1.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4205    4.5704   -1.6226 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8475    4.6558   -1.2891 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2104    4.9697   -3.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0179    4.9130   -3.4616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2284    5.3897   -3.8848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1667    0.3161   -0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5788    0.3712   -0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2924    0.3397    0.9557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7738    0.4016    0.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3176    0.3650    2.2698 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8988   -0.8512    2.9128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7919    0.4550    2.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3629    1.4514    1.6343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5958   -0.5692    2.5942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5233   -0.8966   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2153   -2.1024   -0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2967   -3.2047   -1.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2624   -4.3501   -1.3720 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9233   -4.7372   -0.1656 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994   -5.4592   -2.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6137   -6.6123   -1.5906 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0707   -5.2746   -3.2836 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8020   -0.9371    0.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8603   -0.6524    0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9051   -1.4308   -0.9406 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5426    0.5647   -0.0109 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6318    0.8387    1.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7164   -0.3266    3.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4246   -2.0117    1.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0614   -1.3843    1.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4173   -1.9688    0.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3752    0.9596    1.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8257    0.3718   -0.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6504    1.3152   -0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4962   -0.3968   -0.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119   -0.9204    1.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0494    0.8286    1.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4296    2.2333    0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3812    3.5214    0.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0578    2.9283    0.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3179    2.4987   -2.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2182    3.2449   -1.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8801    5.2905   -0.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3808    5.2105   -2.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2371    3.6842   -1.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9871    5.8523   -4.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0545   -0.4227   -0.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9390    1.3195   -0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9358   -0.5906    1.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9040    1.1680    1.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0579    1.3551    0.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1356   -0.4958    0.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8993    1.2195    2.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2717   -0.6650    3.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6560   -1.4856    3.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7475   -0.6496    3.5893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8373   -1.8459   -1.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8906   -2.5668    0.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4136   -3.5582   -0.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1896   -2.9222   -1.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0565   -3.9706   -2.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9001   -4.3358   -0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9787   -5.7757   -0.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0942   -5.9158   -4.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3666   -1.8782    0.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923    1.3770   -0.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
  9 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 23 25  1  0
 17 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 31 33  1  0
 26 34  2  0
  2 35  1  0
 35 36  2  0
 35 37  1  0
 34  7  1  0
  1 38  1  0
  1 39  1  0
  2 40  1  1
  3 41  1  0
  3 42  1  0
  4 43  1  0
  4 44  1  0
  5 45  1  0
  5 46  1  0
  6 47  1  0
  6 48  1  0
  8 49  1  0
 10 50  1  0
 10 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  1
 13 55  1  0
 13 56  1  0
 16 57  1  0
 18 58  1  0
 18 59  1  0
 19 60  1  0
 19 61  1  0
 20 62  1  0
 20 63  1  0
 21 64  1  1
 22 65  1  0
 22 66  1  0
 25 67  1  0
 27 68  1  0
 27 69  1  0
 28 70  1  0
 28 71  1  0
 29 72  1  6
 30 73  1  0
 30 74  1  0
 33 75  1  0
 34 76  1  0
 37 77  1  0
M  CHG  1   7   1
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Des	ChEBI
4-(4-Amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)pyridinium	HMDB
Desmosine	HMDB

Chemical Formula

C₂₄H₄₀N₅O₈

Average Molecular Weight

526.61

Monoisotopic Molecular Weight

526.287139688

IUPAC Name

3,5-bis[(3S)-3-amino-3-carboxypropyl]-4-[(4S)-4-amino-4-carboxybutyl]-1-[(5S)-5-amino-5-carboxypentyl]pyridin-1-ium

Traditional Name

desmosine

CAS Registry Number

11003-57-9

SMILES

N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(O)=O)=C(CCC[C@H](N)C(O)=O)C(CC[C@H](N)C(O)=O)=C1)C(O)=O

InChI Identifier

InChI=1S/C24H39N5O8/c25-17(21(30)31)5-1-2-11-29-12-14(7-9-19(27)23(34)35)16(4-3-6-18(26)22(32)33)15(13-29)8-10-20(28)24(36)37/h12-13,17-20H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1/t17-,18-,19-,20-/m0/s1

InChI Key

VEVRNHHLCPGNDU-MUGJNUQGSA-O

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tetracarboxylic acids and derivatives

Direct Parent

Tetracarboxylic acids and derivatives

Alternative Parents

Substituents

Tetracarboxylic acid or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
L-alpha-amino acid
Aralkylamine
Pyridine
Pyridinium
Heteroaromatic compound
Amino acid
Amino acid or derivatives
Azacycle
Organoheterocyclic compound
Carboxylic acid
Hydrocarbon derivative
Amine
Organopnictogen compound
Organic oxygen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organic nitrogen compound
Carbonyl group
Organic oxide
Organic cation
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

aromatic amino acid (CHEBI:37628 )

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.012 g/L	ALOGPS
logP	-4.5	ALOGPS
logP	-13	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	1.04	ChemAxon
pKa (Strongest Basic)	10.12	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	257.16 Å²	ChemAxon
Rotatable Bond Count	19	ChemAxon
Refractivity	133.53 m³·mol⁻¹	ChemAxon
Polarizability	56.09 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	218.283	30932474
DeepCCS	[M-H]-	216.161	30932474
DeepCCS	[M-2H]-	249.401	30932474
DeepCCS	[M+Na]+	224.093	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Desmosine	N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(O)=O)=C(CCC[C@H](N)C(O)=O)C(CC[C@H](N)C(O)=O)=C1)C(O)=O	5631.7	Standard polar	33892256
Desmosine	N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(O)=O)=C(CCC[C@H](N)C(O)=O)C(CC[C@H](N)C(O)=O)=C1)C(O)=O	4248.7	Standard non polar	33892256
Desmosine	N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(O)=O)=C(CCC[C@H](N)C(O)=O)C(CC[C@H](N)C(O)=O)=C1)C(O)=O	4908.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Desmosine,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O	4645.4	Semi standard non polar	33892256
Desmosine,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O	4645.4	Semi standard non polar	33892256
Desmosine,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O	4650.0	Semi standard non polar	33892256
Desmosine,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O	4650.0	Semi standard non polar	33892256
Desmosine,1TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1	4650.5	Semi standard non polar	33892256
Desmosine,1TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1	4650.5	Semi standard non polar	33892256
Desmosine,1TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	4797.1	Semi standard non polar	33892256
Desmosine,1TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	4797.1	Semi standard non polar	33892256
Desmosine,1TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4799.8	Semi standard non polar	33892256
Desmosine,1TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4799.8	Semi standard non polar	33892256
Desmosine,1TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O)C(=O)O	4789.5	Semi standard non polar	33892256
Desmosine,1TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O)C(=O)O	4789.5	Semi standard non polar	33892256
Desmosine,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1	4466.3	Semi standard non polar	33892256
Desmosine,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1	4466.3	Semi standard non polar	33892256
Desmosine,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4593.8	Semi standard non polar	33892256
Desmosine,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4593.8	Semi standard non polar	33892256
Desmosine,2TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	4594.8	Semi standard non polar	33892256
Desmosine,2TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	4594.8	Semi standard non polar	33892256
Desmosine,2TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4595.6	Semi standard non polar	33892256
Desmosine,2TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4595.6	Semi standard non polar	33892256
Desmosine,2TMS,isomer #13	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4594.4	Semi standard non polar	33892256
Desmosine,2TMS,isomer #13	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4594.4	Semi standard non polar	33892256
Desmosine,2TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	4591.6	Semi standard non polar	33892256
Desmosine,2TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	4591.6	Semi standard non polar	33892256
Desmosine,2TMS,isomer #15	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4743.3	Semi standard non polar	33892256
Desmosine,2TMS,isomer #15	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4743.3	Semi standard non polar	33892256
Desmosine,2TMS,isomer #16	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	4732.2	Semi standard non polar	33892256
Desmosine,2TMS,isomer #16	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	4732.2	Semi standard non polar	33892256
Desmosine,2TMS,isomer #17	C[Si](C)(C)N([C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O)[Si](C)(C)C	4860.7	Semi standard non polar	33892256
Desmosine,2TMS,isomer #17	C[Si](C)(C)N([C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O)[Si](C)(C)C	4860.7	Semi standard non polar	33892256
Desmosine,2TMS,isomer #18	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4746.1	Semi standard non polar	33892256
Desmosine,2TMS,isomer #18	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4746.1	Semi standard non polar	33892256
Desmosine,2TMS,isomer #19	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4733.7	Semi standard non polar	33892256
Desmosine,2TMS,isomer #19	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4733.7	Semi standard non polar	33892256
Desmosine,2TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O	4459.7	Semi standard non polar	33892256
Desmosine,2TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O	4459.7	Semi standard non polar	33892256
Desmosine,2TMS,isomer #20	C[Si](C)(C)N([C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C	4870.8	Semi standard non polar	33892256
Desmosine,2TMS,isomer #20	C[Si](C)(C)N([C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C	4870.8	Semi standard non polar	33892256
Desmosine,2TMS,isomer #21	C[Si](C)(C)N([C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C	4849.2	Semi standard non polar	33892256
Desmosine,2TMS,isomer #21	C[Si](C)(C)N([C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C	4849.2	Semi standard non polar	33892256
Desmosine,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C	4463.4	Semi standard non polar	33892256
Desmosine,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C	4463.4	Semi standard non polar	33892256
Desmosine,2TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4596.3	Semi standard non polar	33892256
Desmosine,2TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4596.3	Semi standard non polar	33892256
Desmosine,2TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4594.2	Semi standard non polar	33892256
Desmosine,2TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4594.2	Semi standard non polar	33892256
Desmosine,2TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4593.0	Semi standard non polar	33892256
Desmosine,2TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4593.0	Semi standard non polar	33892256
Desmosine,2TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4590.9	Semi standard non polar	33892256
Desmosine,2TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4590.9	Semi standard non polar	33892256
Desmosine,2TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1	4469.9	Semi standard non polar	33892256
Desmosine,2TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1	4469.9	Semi standard non polar	33892256
Desmosine,2TMS,isomer #9	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4587.6	Semi standard non polar	33892256
Desmosine,2TMS,isomer #9	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4587.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1	4325.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1	4325.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #10	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4445.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #10	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4445.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4436.3	Semi standard non polar	33892256
Desmosine,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4436.3	Semi standard non polar	33892256
Desmosine,3TMS,isomer #12	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4446.7	Semi standard non polar	33892256
Desmosine,3TMS,isomer #12	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4446.7	Semi standard non polar	33892256
Desmosine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4450.2	Semi standard non polar	33892256
Desmosine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4450.2	Semi standard non polar	33892256
Desmosine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4440.7	Semi standard non polar	33892256
Desmosine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4440.7	Semi standard non polar	33892256
Desmosine,3TMS,isomer #15	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4582.8	Semi standard non polar	33892256
Desmosine,3TMS,isomer #15	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4582.8	Semi standard non polar	33892256
Desmosine,3TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4580.3	Semi standard non polar	33892256
Desmosine,3TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4580.3	Semi standard non polar	33892256
Desmosine,3TMS,isomer #17	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4575.1	Semi standard non polar	33892256
Desmosine,3TMS,isomer #17	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4575.1	Semi standard non polar	33892256
Desmosine,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4685.5	Semi standard non polar	33892256
Desmosine,3TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4685.5	Semi standard non polar	33892256
Desmosine,3TMS,isomer #19	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4580.3	Semi standard non polar	33892256
Desmosine,3TMS,isomer #19	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4580.3	Semi standard non polar	33892256
Desmosine,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1	4329.9	Semi standard non polar	33892256
Desmosine,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1	4329.9	Semi standard non polar	33892256
Desmosine,3TMS,isomer #20	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4578.1	Semi standard non polar	33892256
Desmosine,3TMS,isomer #20	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4578.1	Semi standard non polar	33892256
Desmosine,3TMS,isomer #21	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O	4660.8	Semi standard non polar	33892256
Desmosine,3TMS,isomer #21	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O	4660.8	Semi standard non polar	33892256
Desmosine,3TMS,isomer #22	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4573.0	Semi standard non polar	33892256
Desmosine,3TMS,isomer #22	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4573.0	Semi standard non polar	33892256
Desmosine,3TMS,isomer #23	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O	4667.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #23	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O	4667.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #24	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4651.3	Semi standard non polar	33892256
Desmosine,3TMS,isomer #24	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4651.3	Semi standard non polar	33892256
Desmosine,3TMS,isomer #25	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4445.2	Semi standard non polar	33892256
Desmosine,3TMS,isomer #25	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4445.2	Semi standard non polar	33892256
Desmosine,3TMS,isomer #26	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4449.2	Semi standard non polar	33892256
Desmosine,3TMS,isomer #26	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4449.2	Semi standard non polar	33892256
Desmosine,3TMS,isomer #27	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4438.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #27	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4438.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #28	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4571.4	Semi standard non polar	33892256
Desmosine,3TMS,isomer #28	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4571.4	Semi standard non polar	33892256
Desmosine,3TMS,isomer #29	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	4575.2	Semi standard non polar	33892256
Desmosine,3TMS,isomer #29	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	4575.2	Semi standard non polar	33892256
Desmosine,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4445.2	Semi standard non polar	33892256
Desmosine,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4445.2	Semi standard non polar	33892256
Desmosine,3TMS,isomer #30	C[Si](C)(C)OC(=O)[C@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4663.3	Semi standard non polar	33892256
Desmosine,3TMS,isomer #30	C[Si](C)(C)OC(=O)[C@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4663.3	Semi standard non polar	33892256
Desmosine,3TMS,isomer #31	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4581.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #31	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4581.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #32	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4576.8	Semi standard non polar	33892256
Desmosine,3TMS,isomer #32	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4576.8	Semi standard non polar	33892256
Desmosine,3TMS,isomer #33	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4670.8	Semi standard non polar	33892256
Desmosine,3TMS,isomer #33	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4670.8	Semi standard non polar	33892256
Desmosine,3TMS,isomer #34	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O	4663.4	Semi standard non polar	33892256
Desmosine,3TMS,isomer #34	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O	4663.4	Semi standard non polar	33892256
Desmosine,3TMS,isomer #35	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4583.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #35	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4583.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #36	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	4579.5	Semi standard non polar	33892256
Desmosine,3TMS,isomer #36	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	4579.5	Semi standard non polar	33892256
Desmosine,3TMS,isomer #37	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4676.2	Semi standard non polar	33892256
Desmosine,3TMS,isomer #37	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4676.2	Semi standard non polar	33892256
Desmosine,3TMS,isomer #38	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4577.9	Semi standard non polar	33892256
Desmosine,3TMS,isomer #38	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4577.9	Semi standard non polar	33892256
Desmosine,3TMS,isomer #39	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4575.3	Semi standard non polar	33892256
Desmosine,3TMS,isomer #39	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4575.3	Semi standard non polar	33892256
Desmosine,3TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4447.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4447.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #40	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4671.8	Semi standard non polar	33892256
Desmosine,3TMS,isomer #40	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4671.8	Semi standard non polar	33892256
Desmosine,3TMS,isomer #41	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1	4654.7	Semi standard non polar	33892256
Desmosine,3TMS,isomer #41	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1	4654.7	Semi standard non polar	33892256
Desmosine,3TMS,isomer #42	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4710.2	Semi standard non polar	33892256
Desmosine,3TMS,isomer #42	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4710.2	Semi standard non polar	33892256
Desmosine,3TMS,isomer #43	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4704.7	Semi standard non polar	33892256
Desmosine,3TMS,isomer #43	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4704.7	Semi standard non polar	33892256
Desmosine,3TMS,isomer #44	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4793.0	Semi standard non polar	33892256
Desmosine,3TMS,isomer #44	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4793.0	Semi standard non polar	33892256
Desmosine,3TMS,isomer #45	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4803.8	Semi standard non polar	33892256
Desmosine,3TMS,isomer #45	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4803.8	Semi standard non polar	33892256
Desmosine,3TMS,isomer #46	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	4781.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #46	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	4781.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #47	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	4778.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #47	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	4778.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #48	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4700.1	Semi standard non polar	33892256
Desmosine,3TMS,isomer #48	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4700.1	Semi standard non polar	33892256
Desmosine,3TMS,isomer #49	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4803.0	Semi standard non polar	33892256
Desmosine,3TMS,isomer #49	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4803.0	Semi standard non polar	33892256
Desmosine,3TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4447.9	Semi standard non polar	33892256
Desmosine,3TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4447.9	Semi standard non polar	33892256
Desmosine,3TMS,isomer #50	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4777.4	Semi standard non polar	33892256
Desmosine,3TMS,isomer #50	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4777.4	Semi standard non polar	33892256
Desmosine,3TMS,isomer #51	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4791.7	Semi standard non polar	33892256
Desmosine,3TMS,isomer #51	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4791.7	Semi standard non polar	33892256
Desmosine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4442.3	Semi standard non polar	33892256
Desmosine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4442.3	Semi standard non polar	33892256
Desmosine,3TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C	4326.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C	4326.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #8	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4440.0	Semi standard non polar	33892256
Desmosine,3TMS,isomer #8	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4440.0	Semi standard non polar	33892256
Desmosine,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4448.6	Semi standard non polar	33892256
Desmosine,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4448.6	Semi standard non polar	33892256
Desmosine,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1	4251.9	Semi standard non polar	33892256
Desmosine,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1	4251.9	Semi standard non polar	33892256
Desmosine,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4462.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4462.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4448.3	Semi standard non polar	33892256
Desmosine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4448.3	Semi standard non polar	33892256
Desmosine,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O	4540.9	Semi standard non polar	33892256
Desmosine,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O	4540.9	Semi standard non polar	33892256
Desmosine,4TMS,isomer #13	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4460.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #13	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4460.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4470.3	Semi standard non polar	33892256
Desmosine,4TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4470.3	Semi standard non polar	33892256
Desmosine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4547.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4547.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #16	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4459.5	Semi standard non polar	33892256
Desmosine,4TMS,isomer #16	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4459.5	Semi standard non polar	33892256
Desmosine,4TMS,isomer #17	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1	4535.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #17	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1	4535.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #18	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1	4549.9	Semi standard non polar	33892256
Desmosine,4TMS,isomer #18	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1	4549.9	Semi standard non polar	33892256
Desmosine,4TMS,isomer #19	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4322.7	Semi standard non polar	33892256
Desmosine,4TMS,isomer #19	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4322.7	Semi standard non polar	33892256
Desmosine,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4325.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4325.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #20	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4325.5	Semi standard non polar	33892256
Desmosine,4TMS,isomer #20	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4325.5	Semi standard non polar	33892256
Desmosine,4TMS,isomer #21	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4361.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #21	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4361.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #22	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4460.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #22	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4460.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #23	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4445.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #23	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4445.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #24	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4456.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #24	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4456.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #25	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O	4544.5	Semi standard non polar	33892256
Desmosine,4TMS,isomer #25	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O	4544.5	Semi standard non polar	33892256
Desmosine,4TMS,isomer #26	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4470.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #26	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4470.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O	4542.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O	4542.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4531.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4531.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #29	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4454.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #29	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4454.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4324.5	Semi standard non polar	33892256
Desmosine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4324.5	Semi standard non polar	33892256
Desmosine,4TMS,isomer #30	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4456.6	Semi standard non polar	33892256
Desmosine,4TMS,isomer #30	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4456.6	Semi standard non polar	33892256
Desmosine,4TMS,isomer #31	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4439.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #31	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4439.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #32	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4527.7	Semi standard non polar	33892256
Desmosine,4TMS,isomer #32	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4527.7	Semi standard non polar	33892256
Desmosine,4TMS,isomer #33	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4470.3	Semi standard non polar	33892256
Desmosine,4TMS,isomer #33	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4470.3	Semi standard non polar	33892256
Desmosine,4TMS,isomer #34	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4456.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #34	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4456.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #35	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4545.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #35	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4545.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #36	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4460.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #36	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4460.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #37	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C	4544.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #37	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C	4544.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #38	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4547.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #38	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4547.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #39	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4594.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #39	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4594.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4362.7	Semi standard non polar	33892256
Desmosine,4TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4362.7	Semi standard non polar	33892256
Desmosine,4TMS,isomer #40	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4592.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #40	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4592.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #41	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4647.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #41	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4647.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #42	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4664.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #42	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4664.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #43	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4588.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #43	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4588.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #44	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4653.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #44	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4653.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #45	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4664.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #45	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4664.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #46	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4635.7	Semi standard non polar	33892256
Desmosine,4TMS,isomer #46	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4635.7	Semi standard non polar	33892256
Desmosine,4TMS,isomer #47	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4656.9	Semi standard non polar	33892256
Desmosine,4TMS,isomer #47	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4656.9	Semi standard non polar	33892256
Desmosine,4TMS,isomer #48	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4592.7	Semi standard non polar	33892256
Desmosine,4TMS,isomer #48	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4592.7	Semi standard non polar	33892256
Desmosine,4TMS,isomer #49	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4649.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #49	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4649.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4325.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4325.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #50	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4656.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #50	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4656.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #51	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4642.7	Semi standard non polar	33892256
Desmosine,4TMS,isomer #51	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4642.7	Semi standard non polar	33892256
Desmosine,4TMS,isomer #52	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4638.3	Semi standard non polar	33892256
Desmosine,4TMS,isomer #52	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4638.3	Semi standard non polar	33892256
Desmosine,4TMS,isomer #53	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4636.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #53	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4636.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #54	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4648.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #54	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4648.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #55	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4462.7	Semi standard non polar	33892256
Desmosine,4TMS,isomer #55	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4462.7	Semi standard non polar	33892256
Desmosine,4TMS,isomer #56	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4440.9	Semi standard non polar	33892256
Desmosine,4TMS,isomer #56	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4440.9	Semi standard non polar	33892256
Desmosine,4TMS,isomer #57	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O	4542.3	Semi standard non polar	33892256
Desmosine,4TMS,isomer #57	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O	4542.3	Semi standard non polar	33892256
Desmosine,4TMS,isomer #58	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4470.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #58	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4470.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #59	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4457.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #59	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4457.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4363.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4363.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #60	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4550.7	Semi standard non polar	33892256
Desmosine,4TMS,isomer #60	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4550.7	Semi standard non polar	33892256
Desmosine,4TMS,isomer #61	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1	4532.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #61	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1	4532.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #62	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4588.9	Semi standard non polar	33892256
Desmosine,4TMS,isomer #62	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4588.9	Semi standard non polar	33892256
Desmosine,4TMS,isomer #63	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4584.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #63	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4584.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #64	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4644.6	Semi standard non polar	33892256
Desmosine,4TMS,isomer #64	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4644.6	Semi standard non polar	33892256
Desmosine,4TMS,isomer #65	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4642.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #65	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4642.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #66	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4638.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #66	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4638.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #67	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	4641.6	Semi standard non polar	33892256
Desmosine,4TMS,isomer #67	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	4641.6	Semi standard non polar	33892256
Desmosine,4TMS,isomer #68	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4593.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #68	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4593.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #69	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4650.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #69	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4650.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4321.5	Semi standard non polar	33892256
Desmosine,4TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4321.5	Semi standard non polar	33892256
Desmosine,4TMS,isomer #70	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4657.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #70	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4657.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #71	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4656.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #71	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4656.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #72	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4594.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #72	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4594.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #73	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4592.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #73	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4592.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #74	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4656.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #74	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4656.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #75	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4656.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #75	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4656.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #76	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4637.9	Semi standard non polar	33892256
Desmosine,4TMS,isomer #76	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4637.9	Semi standard non polar	33892256
Desmosine,4TMS,isomer #77	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	4648.3	Semi standard non polar	33892256
Desmosine,4TMS,isomer #77	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	4648.3	Semi standard non polar	33892256
Desmosine,4TMS,isomer #78	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4588.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #78	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4588.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #79	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4658.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #79	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4658.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #8	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4325.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #8	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4325.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #80	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4640.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #80	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4640.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #81	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4651.9	Semi standard non polar	33892256
Desmosine,4TMS,isomer #81	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4651.9	Semi standard non polar	33892256
Desmosine,4TMS,isomer #82	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4722.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #82	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4722.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #83	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4764.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #83	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4764.1	Semi standard non polar	33892256
Desmosine,4TMS,isomer #84	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4775.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #84	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4775.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #85	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4756.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #85	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4756.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #86	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4752.6	Semi standard non polar	33892256
Desmosine,4TMS,isomer #86	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4752.6	Semi standard non polar	33892256
Desmosine,4TMS,isomer #87	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4767.3	Semi standard non polar	33892256
Desmosine,4TMS,isomer #87	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4767.3	Semi standard non polar	33892256
Desmosine,4TMS,isomer #88	C[Si](C)(C)N([C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O)[Si](C)(C)C	4845.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #88	C[Si](C)(C)N([C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O)[Si](C)(C)C	4845.4	Semi standard non polar	33892256
Desmosine,4TMS,isomer #89	C[Si](C)(C)N([C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O)[Si](C)(C)C	4823.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #89	C[Si](C)(C)N([C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O)[Si](C)(C)C	4823.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4462.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4462.8	Semi standard non polar	33892256
Desmosine,4TMS,isomer #90	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4751.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #90	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4751.0	Semi standard non polar	33892256
Desmosine,4TMS,isomer #91	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4767.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #91	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4767.2	Semi standard non polar	33892256
Desmosine,4TMS,isomer #92	C[Si](C)(C)N([C@@H](CCC1=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCC[C@H](N)C(=O)O)=C1)C(=O)O)[Si](C)(C)C	4861.3	Semi standard non polar	33892256
Desmosine,4TMS,isomer #92	C[Si](C)(C)N([C@@H](CCC1=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C[N+](CCCC[C@H](N)C(=O)O)=C1)C(=O)O)[Si](C)(C)C	4861.3	Semi standard non polar	33892256
Desmosine,4TMS,isomer #93	C[Si](C)(C)N([C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4836.5	Semi standard non polar	33892256
Desmosine,4TMS,isomer #93	C[Si](C)(C)N([C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4836.5	Semi standard non polar	33892256
Desmosine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4268.6	Semi standard non polar	33892256
Desmosine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4099.6	Standard non polar	33892256
Desmosine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	7424.8	Standard polar	33892256
Desmosine,5TMS,isomer #10	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1	4465.8	Semi standard non polar	33892256
Desmosine,5TMS,isomer #10	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1	4214.1	Standard non polar	33892256
Desmosine,5TMS,isomer #10	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1	7416.0	Standard polar	33892256
Desmosine,5TMS,isomer #100	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4657.7	Semi standard non polar	33892256
Desmosine,5TMS,isomer #100	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4455.4	Standard non polar	33892256
Desmosine,5TMS,isomer #100	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6596.3	Standard polar	33892256
Desmosine,5TMS,isomer #101	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4673.8	Semi standard non polar	33892256
Desmosine,5TMS,isomer #101	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4450.8	Standard non polar	33892256
Desmosine,5TMS,isomer #101	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	6630.9	Standard polar	33892256
Desmosine,5TMS,isomer #102	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4661.8	Semi standard non polar	33892256
Desmosine,5TMS,isomer #102	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4455.4	Standard non polar	33892256
Desmosine,5TMS,isomer #102	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6596.8	Standard polar	33892256
Desmosine,5TMS,isomer #103	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4661.8	Semi standard non polar	33892256
Desmosine,5TMS,isomer #103	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4451.6	Standard non polar	33892256
Desmosine,5TMS,isomer #103	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6617.7	Standard polar	33892256
Desmosine,5TMS,isomer #104	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4674.7	Semi standard non polar	33892256
Desmosine,5TMS,isomer #104	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4446.2	Standard non polar	33892256
Desmosine,5TMS,isomer #104	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6651.6	Standard polar	33892256
Desmosine,5TMS,isomer #105	C[Si](C)(C)OC(=O)[C@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4742.9	Semi standard non polar	33892256
Desmosine,5TMS,isomer #105	C[Si](C)(C)OC(=O)[C@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4465.9	Standard non polar	33892256
Desmosine,5TMS,isomer #105	C[Si](C)(C)OC(=O)[C@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7163.4	Standard polar	33892256
Desmosine,5TMS,isomer #106	C[Si](C)(C)OC(=O)[C@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4738.1	Semi standard non polar	33892256
Desmosine,5TMS,isomer #106	C[Si](C)(C)OC(=O)[C@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4468.0	Standard non polar	33892256
Desmosine,5TMS,isomer #106	C[Si](C)(C)OC(=O)[C@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7144.9	Standard polar	33892256
Desmosine,5TMS,isomer #107	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4660.7	Semi standard non polar	33892256
Desmosine,5TMS,isomer #107	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4447.7	Standard non polar	33892256
Desmosine,5TMS,isomer #107	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	6527.1	Standard polar	33892256
Desmosine,5TMS,isomer #108	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4665.0	Semi standard non polar	33892256
Desmosine,5TMS,isomer #108	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4447.8	Standard non polar	33892256
Desmosine,5TMS,isomer #108	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6527.6	Standard polar	33892256
Desmosine,5TMS,isomer #109	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4739.8	Semi standard non polar	33892256
Desmosine,5TMS,isomer #109	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4458.3	Standard non polar	33892256
Desmosine,5TMS,isomer #109	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7052.0	Standard polar	33892256
Desmosine,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4388.6	Semi standard non polar	33892256
Desmosine,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4219.1	Standard non polar	33892256
Desmosine,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	6967.1	Standard polar	33892256
Desmosine,5TMS,isomer #110	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4746.3	Semi standard non polar	33892256
Desmosine,5TMS,isomer #110	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4456.3	Standard non polar	33892256
Desmosine,5TMS,isomer #110	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7070.4	Standard polar	33892256
Desmosine,5TMS,isomer #111	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4625.2	Semi standard non polar	33892256
Desmosine,5TMS,isomer #111	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4485.2	Standard non polar	33892256
Desmosine,5TMS,isomer #111	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	6089.8	Standard polar	33892256
Desmosine,5TMS,isomer #112	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4669.2	Semi standard non polar	33892256
Desmosine,5TMS,isomer #112	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4456.8	Standard non polar	33892256
Desmosine,5TMS,isomer #112	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	6615.9	Standard polar	33892256
Desmosine,5TMS,isomer #113	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4686.1	Semi standard non polar	33892256
Desmosine,5TMS,isomer #113	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	4456.7	Standard non polar	33892256
Desmosine,5TMS,isomer #113	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	6649.6	Standard polar	33892256
Desmosine,5TMS,isomer #114	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4655.9	Semi standard non polar	33892256
Desmosine,5TMS,isomer #114	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4449.9	Standard non polar	33892256
Desmosine,5TMS,isomer #114	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6596.7	Standard polar	33892256
Desmosine,5TMS,isomer #115	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4679.6	Semi standard non polar	33892256
Desmosine,5TMS,isomer #115	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4455.7	Standard non polar	33892256
Desmosine,5TMS,isomer #115	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	6630.1	Standard polar	33892256
Desmosine,5TMS,isomer #116	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4663.6	Semi standard non polar	33892256
Desmosine,5TMS,isomer #116	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4456.0	Standard non polar	33892256
Desmosine,5TMS,isomer #116	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6596.3	Standard polar	33892256
Desmosine,5TMS,isomer #117	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	4754.1	Semi standard non polar	33892256
Desmosine,5TMS,isomer #117	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	4474.2	Standard non polar	33892256
Desmosine,5TMS,isomer #117	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	7161.0	Standard polar	33892256
Desmosine,5TMS,isomer #118	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4740.6	Semi standard non polar	33892256
Desmosine,5TMS,isomer #118	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4467.6	Standard non polar	33892256
Desmosine,5TMS,isomer #118	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)N([Si](C)(C)C)[Si](C)(C)C	7144.6	Standard polar	33892256
Desmosine,5TMS,isomer #119	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4655.0	Semi standard non polar	33892256
Desmosine,5TMS,isomer #119	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4434.7	Standard non polar	33892256
Desmosine,5TMS,isomer #119	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6529.6	Standard polar	33892256
Desmosine,5TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4358.1	Semi standard non polar	33892256
Desmosine,5TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4222.2	Standard non polar	33892256
Desmosine,5TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	7024.5	Standard polar	33892256
Desmosine,5TMS,isomer #120	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4664.0	Semi standard non polar	33892256
Desmosine,5TMS,isomer #120	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4442.1	Standard non polar	33892256
Desmosine,5TMS,isomer #120	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6529.2	Standard polar	33892256
Desmosine,5TMS,isomer #121	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4750.5	Semi standard non polar	33892256
Desmosine,5TMS,isomer #121	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4455.8	Standard non polar	33892256
Desmosine,5TMS,isomer #121	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	7070.4	Standard polar	33892256
Desmosine,5TMS,isomer #122	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4734.5	Semi standard non polar	33892256
Desmosine,5TMS,isomer #122	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4447.8	Standard non polar	33892256
Desmosine,5TMS,isomer #122	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	7054.4	Standard polar	33892256
Desmosine,5TMS,isomer #123	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4773.6	Semi standard non polar	33892256
Desmosine,5TMS,isomer #123	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4554.8	Standard non polar	33892256
Desmosine,5TMS,isomer #123	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	6199.8	Standard polar	33892256
Desmosine,5TMS,isomer #124	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4782.1	Semi standard non polar	33892256
Desmosine,5TMS,isomer #124	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4556.1	Standard non polar	33892256
Desmosine,5TMS,isomer #124	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6201.3	Standard polar	33892256
Desmosine,5TMS,isomer #125	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4768.6	Semi standard non polar	33892256
Desmosine,5TMS,isomer #125	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4549.7	Standard non polar	33892256
Desmosine,5TMS,isomer #125	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	6200.0	Standard polar	33892256
Desmosine,5TMS,isomer #126	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4835.5	Semi standard non polar	33892256
Desmosine,5TMS,isomer #126	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4556.7	Standard non polar	33892256
Desmosine,5TMS,isomer #126	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	6676.7	Standard polar	33892256
Desmosine,5TMS,isomer #127	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4846.4	Semi standard non polar	33892256
Desmosine,5TMS,isomer #127	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4557.0	Standard non polar	33892256
Desmosine,5TMS,isomer #127	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6677.0	Standard polar	33892256
Desmosine,5TMS,isomer #128	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4816.4	Semi standard non polar	33892256
Desmosine,5TMS,isomer #128	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4552.5	Standard non polar	33892256
Desmosine,5TMS,isomer #128	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6657.5	Standard polar	33892256
Desmosine,5TMS,isomer #129	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4829.4	Semi standard non polar	33892256
Desmosine,5TMS,isomer #129	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4556.0	Standard non polar	33892256
Desmosine,5TMS,isomer #129	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6657.2	Standard polar	33892256
Desmosine,5TMS,isomer #13	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4358.3	Semi standard non polar	33892256
Desmosine,5TMS,isomer #13	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4219.9	Standard non polar	33892256
Desmosine,5TMS,isomer #13	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	7036.9	Standard polar	33892256
Desmosine,5TMS,isomer #130	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4827.0	Semi standard non polar	33892256
Desmosine,5TMS,isomer #130	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4552.7	Standard non polar	33892256
Desmosine,5TMS,isomer #130	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6657.8	Standard polar	33892256
Desmosine,5TMS,isomer #131	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4830.7	Semi standard non polar	33892256
Desmosine,5TMS,isomer #131	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4547.9	Standard non polar	33892256
Desmosine,5TMS,isomer #131	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6678.4	Standard polar	33892256
Desmosine,5TMS,isomer #132	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4844.3	Semi standard non polar	33892256
Desmosine,5TMS,isomer #132	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4552.1	Standard non polar	33892256
Desmosine,5TMS,isomer #132	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6678.1	Standard polar	33892256
Desmosine,5TMS,isomer #14	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C	4463.2	Semi standard non polar	33892256
Desmosine,5TMS,isomer #14	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C	4234.5	Standard non polar	33892256
Desmosine,5TMS,isomer #14	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C	7503.1	Standard polar	33892256
Desmosine,5TMS,isomer #15	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4389.8	Semi standard non polar	33892256
Desmosine,5TMS,isomer #15	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4210.0	Standard non polar	33892256
Desmosine,5TMS,isomer #15	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	6982.0	Standard polar	33892256
Desmosine,5TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4387.6	Semi standard non polar	33892256
Desmosine,5TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4212.5	Standard non polar	33892256
Desmosine,5TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6969.2	Standard polar	33892256
Desmosine,5TMS,isomer #17	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4473.3	Semi standard non polar	33892256
Desmosine,5TMS,isomer #17	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	4220.9	Standard non polar	33892256
Desmosine,5TMS,isomer #17	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1	7429.7	Standard polar	33892256
Desmosine,5TMS,isomer #18	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4358.1	Semi standard non polar	33892256
Desmosine,5TMS,isomer #18	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4213.7	Standard non polar	33892256
Desmosine,5TMS,isomer #18	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	7039.0	Standard polar	33892256
Desmosine,5TMS,isomer #19	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1	4460.4	Semi standard non polar	33892256
Desmosine,5TMS,isomer #19	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1	4225.7	Standard non polar	33892256
Desmosine,5TMS,isomer #19	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1	7505.5	Standard polar	33892256
Desmosine,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4271.0	Semi standard non polar	33892256
Desmosine,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4092.4	Standard non polar	33892256
Desmosine,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	7438.2	Standard polar	33892256
Desmosine,5TMS,isomer #20	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1	4470.0	Semi standard non polar	33892256
Desmosine,5TMS,isomer #20	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1	4231.8	Standard non polar	33892256
Desmosine,5TMS,isomer #20	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1	7516.7	Standard polar	33892256
Desmosine,5TMS,isomer #21	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4490.7	Semi standard non polar	33892256
Desmosine,5TMS,isomer #21	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4349.9	Standard non polar	33892256
Desmosine,5TMS,isomer #21	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	6554.8	Standard polar	33892256
Desmosine,5TMS,isomer #22	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4504.8	Semi standard non polar	33892256
Desmosine,5TMS,isomer #22	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4345.1	Standard non polar	33892256
Desmosine,5TMS,isomer #22	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	6446.2	Standard polar	33892256
Desmosine,5TMS,isomer #23	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4549.7	Semi standard non polar	33892256
Desmosine,5TMS,isomer #23	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4340.9	Standard non polar	33892256
Desmosine,5TMS,isomer #23	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	7040.6	Standard polar	33892256
Desmosine,5TMS,isomer #24	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4564.5	Semi standard non polar	33892256
Desmosine,5TMS,isomer #24	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4343.8	Standard non polar	33892256
Desmosine,5TMS,isomer #24	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	7072.4	Standard polar	33892256
Desmosine,5TMS,isomer #25	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4489.1	Semi standard non polar	33892256
Desmosine,5TMS,isomer #25	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4348.6	Standard non polar	33892256
Desmosine,5TMS,isomer #25	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6535.6	Standard polar	33892256
Desmosine,5TMS,isomer #26	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4538.6	Semi standard non polar	33892256
Desmosine,5TMS,isomer #26	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4332.1	Standard non polar	33892256
Desmosine,5TMS,isomer #26	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	7025.5	Standard polar	33892256
Desmosine,5TMS,isomer #27	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4561.0	Semi standard non polar	33892256
Desmosine,5TMS,isomer #27	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4341.7	Standard non polar	33892256
Desmosine,5TMS,isomer #27	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	7056.5	Standard polar	33892256
Desmosine,5TMS,isomer #28	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4551.4	Semi standard non polar	33892256
Desmosine,5TMS,isomer #28	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4347.4	Standard non polar	33892256
Desmosine,5TMS,isomer #28	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	7144.2	Standard polar	33892256
Desmosine,5TMS,isomer #29	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4555.1	Semi standard non polar	33892256
Desmosine,5TMS,isomer #29	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4352.1	Standard non polar	33892256
Desmosine,5TMS,isomer #29	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	7143.4	Standard polar	33892256
Desmosine,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4269.2	Semi standard non polar	33892256
Desmosine,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4092.5	Standard non polar	33892256
Desmosine,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	7426.8	Standard polar	33892256
Desmosine,5TMS,isomer #30	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4505.1	Semi standard non polar	33892256
Desmosine,5TMS,isomer #30	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4334.4	Standard non polar	33892256
Desmosine,5TMS,isomer #30	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6466.1	Standard polar	33892256
Desmosine,5TMS,isomer #31	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4550.5	Semi standard non polar	33892256
Desmosine,5TMS,isomer #31	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4332.8	Standard non polar	33892256
Desmosine,5TMS,isomer #31	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	7056.4	Standard polar	33892256
Desmosine,5TMS,isomer #32	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4569.3	Semi standard non polar	33892256
Desmosine,5TMS,isomer #32	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4340.7	Standard non polar	33892256
Desmosine,5TMS,isomer #32	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	7087.7	Standard polar	33892256
Desmosine,5TMS,isomer #33	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4549.2	Semi standard non polar	33892256
Desmosine,5TMS,isomer #33	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4322.2	Standard non polar	33892256
Desmosine,5TMS,isomer #33	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6969.6	Standard polar	33892256
Desmosine,5TMS,isomer #34	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4559.0	Semi standard non polar	33892256
Desmosine,5TMS,isomer #34	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4328.0	Standard non polar	33892256
Desmosine,5TMS,isomer #34	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6969.0	Standard polar	33892256
Desmosine,5TMS,isomer #35	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4539.6	Semi standard non polar	33892256
Desmosine,5TMS,isomer #35	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4324.2	Standard non polar	33892256
Desmosine,5TMS,isomer #35	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	7041.1	Standard polar	33892256
Desmosine,5TMS,isomer #36	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4564.9	Semi standard non polar	33892256
Desmosine,5TMS,isomer #36	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4338.3	Standard non polar	33892256
Desmosine,5TMS,isomer #36	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	7071.6	Standard polar	33892256
Desmosine,5TMS,isomer #37	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4359.0	Semi standard non polar	33892256
Desmosine,5TMS,isomer #37	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4215.1	Standard non polar	33892256
Desmosine,5TMS,isomer #37	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	7037.8	Standard polar	33892256
Desmosine,5TMS,isomer #38	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4385.0	Semi standard non polar	33892256
Desmosine,5TMS,isomer #38	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4216.8	Standard non polar	33892256
Desmosine,5TMS,isomer #38	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6950.8	Standard polar	33892256
Desmosine,5TMS,isomer #39	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4456.7	Semi standard non polar	33892256
Desmosine,5TMS,isomer #39	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4226.6	Standard non polar	33892256
Desmosine,5TMS,isomer #39	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7504.4	Standard polar	33892256
Desmosine,5TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4360.8	Semi standard non polar	33892256
Desmosine,5TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4221.0	Standard non polar	33892256
Desmosine,5TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	7035.7	Standard polar	33892256
Desmosine,5TMS,isomer #40	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4386.3	Semi standard non polar	33892256
Desmosine,5TMS,isomer #40	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4214.1	Standard non polar	33892256
Desmosine,5TMS,isomer #40	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6964.1	Standard polar	33892256
Desmosine,5TMS,isomer #41	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4359.2	Semi standard non polar	33892256
Desmosine,5TMS,isomer #41	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4212.8	Standard non polar	33892256
Desmosine,5TMS,isomer #41	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	7050.3	Standard polar	33892256
Desmosine,5TMS,isomer #42	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4465.6	Semi standard non polar	33892256
Desmosine,5TMS,isomer #42	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4232.7	Standard non polar	33892256
Desmosine,5TMS,isomer #42	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7515.6	Standard polar	33892256
Desmosine,5TMS,isomer #43	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C	4468.5	Semi standard non polar	33892256
Desmosine,5TMS,isomer #43	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C	4223.8	Standard non polar	33892256
Desmosine,5TMS,isomer #43	C[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C	7413.8	Standard polar	33892256
Desmosine,5TMS,isomer #44	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4487.8	Semi standard non polar	33892256
Desmosine,5TMS,isomer #44	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4342.6	Standard non polar	33892256
Desmosine,5TMS,isomer #44	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6552.8	Standard polar	33892256
Desmosine,5TMS,isomer #45	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4502.1	Semi standard non polar	33892256
Desmosine,5TMS,isomer #45	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4338.3	Standard non polar	33892256
Desmosine,5TMS,isomer #45	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6444.3	Standard polar	33892256
Desmosine,5TMS,isomer #46	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4547.7	Semi standard non polar	33892256
Desmosine,5TMS,isomer #46	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4334.7	Standard non polar	33892256
Desmosine,5TMS,isomer #46	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	7037.5	Standard polar	33892256
Desmosine,5TMS,isomer #47	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4565.4	Semi standard non polar	33892256
Desmosine,5TMS,isomer #47	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4343.1	Standard non polar	33892256
Desmosine,5TMS,isomer #47	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	7068.6	Standard polar	33892256
Desmosine,5TMS,isomer #48	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4487.3	Semi standard non polar	33892256
Desmosine,5TMS,isomer #48	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4337.8	Standard non polar	33892256
Desmosine,5TMS,isomer #48	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6554.1	Standard polar	33892256
Desmosine,5TMS,isomer #49	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4556.8	Semi standard non polar	33892256
Desmosine,5TMS,isomer #49	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4344.1	Standard non polar	33892256
Desmosine,5TMS,isomer #49	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	7158.2	Standard polar	33892256
Desmosine,5TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4390.0	Semi standard non polar	33892256
Desmosine,5TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4217.0	Standard non polar	33892256
Desmosine,5TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	6950.4	Standard polar	33892256
Desmosine,5TMS,isomer #50	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4537.2	Semi standard non polar	33892256
Desmosine,5TMS,isomer #50	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4324.3	Standard non polar	33892256
Desmosine,5TMS,isomer #50	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	7039.9	Standard polar	33892256
Desmosine,5TMS,isomer #51	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4563.8	Semi standard non polar	33892256
Desmosine,5TMS,isomer #51	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4338.5	Standard non polar	33892256
Desmosine,5TMS,isomer #51	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	7070.4	Standard polar	33892256
Desmosine,5TMS,isomer #52	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4554.6	Semi standard non polar	33892256
Desmosine,5TMS,isomer #52	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4331.1	Standard non polar	33892256
Desmosine,5TMS,isomer #52	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	6950.6	Standard polar	33892256
Desmosine,5TMS,isomer #53	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4544.5	Semi standard non polar	33892256
Desmosine,5TMS,isomer #53	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4325.9	Standard non polar	33892256
Desmosine,5TMS,isomer #53	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6951.1	Standard polar	33892256
Desmosine,5TMS,isomer #54	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4499.2	Semi standard non polar	33892256
Desmosine,5TMS,isomer #54	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4345.1	Standard non polar	33892256
Desmosine,5TMS,isomer #54	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	6446.6	Standard polar	33892256
Desmosine,5TMS,isomer #55	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4483.7	Semi standard non polar	33892256
Desmosine,5TMS,isomer #55	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4344.9	Standard non polar	33892256
Desmosine,5TMS,isomer #55	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6556.6	Standard polar	33892256
Desmosine,5TMS,isomer #56	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4542.6	Semi standard non polar	33892256
Desmosine,5TMS,isomer #56	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4335.9	Standard non polar	33892256
Desmosine,5TMS,isomer #56	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	7042.9	Standard polar	33892256
Desmosine,5TMS,isomer #57	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4553.5	Semi standard non polar	33892256
Desmosine,5TMS,isomer #57	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4334.3	Standard non polar	33892256
Desmosine,5TMS,isomer #57	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	7075.0	Standard polar	33892256
Desmosine,5TMS,isomer #58	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4483.3	Semi standard non polar	33892256
Desmosine,5TMS,isomer #58	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4348.4	Standard non polar	33892256
Desmosine,5TMS,isomer #58	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6536.0	Standard polar	33892256
Desmosine,5TMS,isomer #59	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4543.0	Semi standard non polar	33892256
Desmosine,5TMS,isomer #59	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4338.0	Standard non polar	33892256
Desmosine,5TMS,isomer #59	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	7025.4	Standard polar	33892256
Desmosine,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O	4463.9	Semi standard non polar	33892256
Desmosine,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O	4235.3	Standard non polar	33892256
Desmosine,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O	7502.0	Standard polar	33892256
Desmosine,5TMS,isomer #60	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4551.1	Semi standard non polar	33892256
Desmosine,5TMS,isomer #60	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4336.9	Standard non polar	33892256
Desmosine,5TMS,isomer #60	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1)C(=O)O	7057.2	Standard polar	33892256
Desmosine,5TMS,isomer #61	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4541.2	Semi standard non polar	33892256
Desmosine,5TMS,isomer #61	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4337.6	Standard non polar	33892256
Desmosine,5TMS,isomer #61	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	7146.6	Standard polar	33892256
Desmosine,5TMS,isomer #62	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4547.5	Semi standard non polar	33892256
Desmosine,5TMS,isomer #62	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4347.1	Standard non polar	33892256
Desmosine,5TMS,isomer #62	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	7145.4	Standard polar	33892256
Desmosine,5TMS,isomer #63	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4502.9	Semi standard non polar	33892256
Desmosine,5TMS,isomer #63	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4339.5	Standard non polar	33892256
Desmosine,5TMS,isomer #63	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6464.7	Standard polar	33892256
Desmosine,5TMS,isomer #64	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4556.4	Semi standard non polar	33892256
Desmosine,5TMS,isomer #64	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4332.7	Standard non polar	33892256
Desmosine,5TMS,isomer #64	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	6967.1	Standard polar	33892256
Desmosine,5TMS,isomer #65	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4556.7	Semi standard non polar	33892256
Desmosine,5TMS,isomer #65	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4333.4	Standard non polar	33892256
Desmosine,5TMS,isomer #65	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6967.0	Standard polar	33892256
Desmosine,5TMS,isomer #66	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4547.3	Semi standard non polar	33892256
Desmosine,5TMS,isomer #66	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4333.1	Standard non polar	33892256
Desmosine,5TMS,isomer #66	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	7056.4	Standard polar	33892256
Desmosine,5TMS,isomer #67	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4566.3	Semi standard non polar	33892256
Desmosine,5TMS,isomer #67	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4340.9	Standard non polar	33892256
Desmosine,5TMS,isomer #67	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	7087.7	Standard polar	33892256
Desmosine,5TMS,isomer #68	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4546.9	Semi standard non polar	33892256
Desmosine,5TMS,isomer #68	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4334.9	Standard non polar	33892256
Desmosine,5TMS,isomer #68	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	7038.7	Standard polar	33892256
Desmosine,5TMS,isomer #69	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4563.5	Semi standard non polar	33892256
Desmosine,5TMS,isomer #69	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4343.2	Standard non polar	33892256
Desmosine,5TMS,isomer #69	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	7069.9	Standard polar	33892256
Desmosine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4360.5	Semi standard non polar	33892256
Desmosine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4212.6	Standard non polar	33892256
Desmosine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	7050.3	Standard polar	33892256
Desmosine,5TMS,isomer #70	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4625.5	Semi standard non polar	33892256
Desmosine,5TMS,isomer #70	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4478.3	Standard non polar	33892256
Desmosine,5TMS,isomer #70	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6098.1	Standard polar	33892256
Desmosine,5TMS,isomer #71	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4664.8	Semi standard non polar	33892256
Desmosine,5TMS,isomer #71	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	4449.9	Standard non polar	33892256
Desmosine,5TMS,isomer #71	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	6613.8	Standard polar	33892256
Desmosine,5TMS,isomer #72	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4668.8	Semi standard non polar	33892256
Desmosine,5TMS,isomer #72	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4449.8	Standard non polar	33892256
Desmosine,5TMS,isomer #72	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6614.3	Standard polar	33892256
Desmosine,5TMS,isomer #73	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4690.8	Semi standard non polar	33892256
Desmosine,5TMS,isomer #73	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4454.9	Standard non polar	33892256
Desmosine,5TMS,isomer #73	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6649.3	Standard polar	33892256
Desmosine,5TMS,isomer #74	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4659.4	Semi standard non polar	33892256
Desmosine,5TMS,isomer #74	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4449.3	Standard non polar	33892256
Desmosine,5TMS,isomer #74	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6594.2	Standard polar	33892256
Desmosine,5TMS,isomer #75	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4655.3	Semi standard non polar	33892256
Desmosine,5TMS,isomer #75	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	4443.2	Standard non polar	33892256
Desmosine,5TMS,isomer #75	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1)C(=O)O	6595.1	Standard polar	33892256
Desmosine,5TMS,isomer #76	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4684.1	Semi standard non polar	33892256
Desmosine,5TMS,isomer #76	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4454.0	Standard non polar	33892256
Desmosine,5TMS,isomer #76	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6629.7	Standard polar	33892256
Desmosine,5TMS,isomer #77	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4753.7	Semi standard non polar	33892256
Desmosine,5TMS,isomer #77	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4472.9	Standard non polar	33892256
Desmosine,5TMS,isomer #77	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7157.4	Standard polar	33892256
Desmosine,5TMS,isomer #78	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4655.4	Semi standard non polar	33892256
Desmosine,5TMS,isomer #78	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4438.3	Standard non polar	33892256
Desmosine,5TMS,isomer #78	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6616.0	Standard polar	33892256
Desmosine,5TMS,isomer #79	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4663.5	Semi standard non polar	33892256
Desmosine,5TMS,isomer #79	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4444.8	Standard non polar	33892256
Desmosine,5TMS,isomer #79	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6615.6	Standard polar	33892256
Desmosine,5TMS,isomer #8	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4390.0	Semi standard non polar	33892256
Desmosine,5TMS,isomer #8	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4207.9	Standard non polar	33892256
Desmosine,5TMS,isomer #8	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6965.7	Standard polar	33892256
Desmosine,5TMS,isomer #80	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4685.7	Semi standard non polar	33892256
Desmosine,5TMS,isomer #80	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4449.9	Standard non polar	33892256
Desmosine,5TMS,isomer #80	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6650.4	Standard polar	33892256
Desmosine,5TMS,isomer #81	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4760.6	Semi standard non polar	33892256
Desmosine,5TMS,isomer #81	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4470.5	Standard non polar	33892256
Desmosine,5TMS,isomer #81	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7176.0	Standard polar	33892256
Desmosine,5TMS,isomer #82	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4744.0	Semi standard non polar	33892256
Desmosine,5TMS,isomer #82	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4464.2	Standard non polar	33892256
Desmosine,5TMS,isomer #82	C[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7159.6	Standard polar	33892256
Desmosine,5TMS,isomer #83	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4656.2	Semi standard non polar	33892256
Desmosine,5TMS,isomer #83	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	4446.0	Standard non polar	33892256
Desmosine,5TMS,isomer #83	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O	6506.6	Standard polar	33892256
Desmosine,5TMS,isomer #84	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4650.9	Semi standard non polar	33892256
Desmosine,5TMS,isomer #84	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4439.2	Standard non polar	33892256
Desmosine,5TMS,isomer #84	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	6507.5	Standard polar	33892256
Desmosine,5TMS,isomer #85	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4660.2	Semi standard non polar	33892256
Desmosine,5TMS,isomer #85	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	4446.1	Standard non polar	33892256
Desmosine,5TMS,isomer #85	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O	6507.1	Standard polar	33892256
Desmosine,5TMS,isomer #86	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O	4739.8	Semi standard non polar	33892256
Desmosine,5TMS,isomer #86	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O	4458.2	Standard non polar	33892256
Desmosine,5TMS,isomer #86	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O	7050.8	Standard polar	33892256
Desmosine,5TMS,isomer #87	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4724.6	Semi standard non polar	33892256
Desmosine,5TMS,isomer #87	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4450.7	Standard non polar	33892256
Desmosine,5TMS,isomer #87	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7034.9	Standard polar	33892256
Desmosine,5TMS,isomer #88	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4729.3	Semi standard non polar	33892256
Desmosine,5TMS,isomer #88	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4448.2	Standard non polar	33892256
Desmosine,5TMS,isomer #88	C[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7053.2	Standard polar	33892256
Desmosine,5TMS,isomer #89	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4505.6	Semi standard non polar	33892256
Desmosine,5TMS,isomer #89	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4346.4	Standard non polar	33892256
Desmosine,5TMS,isomer #89	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	6466.6	Standard polar	33892256
Desmosine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1	4471.1	Semi standard non polar	33892256
Desmosine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1	4232.5	Standard non polar	33892256
Desmosine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1	7515.6	Standard polar	33892256
Desmosine,5TMS,isomer #90	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4485.8	Semi standard non polar	33892256
Desmosine,5TMS,isomer #90	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4355.7	Standard non polar	33892256
Desmosine,5TMS,isomer #90	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6538.1	Standard polar	33892256
Desmosine,5TMS,isomer #91	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4548.2	Semi standard non polar	33892256
Desmosine,5TMS,isomer #91	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4341.1	Standard non polar	33892256
Desmosine,5TMS,isomer #91	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	7041.8	Standard polar	33892256
Desmosine,5TMS,isomer #92	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4563.1	Semi standard non polar	33892256
Desmosine,5TMS,isomer #92	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4343.9	Standard non polar	33892256
Desmosine,5TMS,isomer #92	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	7073.7	Standard polar	33892256
Desmosine,5TMS,isomer #93	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4544.0	Semi standard non polar	33892256
Desmosine,5TMS,isomer #93	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	4350.5	Standard non polar	33892256
Desmosine,5TMS,isomer #93	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C	7131.5	Standard polar	33892256
Desmosine,5TMS,isomer #94	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4539.9	Semi standard non polar	33892256
Desmosine,5TMS,isomer #94	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	4346.0	Standard non polar	33892256
Desmosine,5TMS,isomer #94	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O[Si](C)(C)C	7131.9	Standard polar	33892256
Desmosine,5TMS,isomer #95	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4501.9	Semi standard non polar	33892256
Desmosine,5TMS,isomer #95	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	4341.2	Standard non polar	33892256
Desmosine,5TMS,isomer #95	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O	6468.4	Standard polar	33892256
Desmosine,5TMS,isomer #96	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4561.1	Semi standard non polar	33892256
Desmosine,5TMS,isomer #96	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	4330.4	Standard non polar	33892256
Desmosine,5TMS,isomer #96	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O	6985.7	Standard polar	33892256
Desmosine,5TMS,isomer #97	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4544.5	Semi standard non polar	33892256
Desmosine,5TMS,isomer #97	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4335.8	Standard non polar	33892256
Desmosine,5TMS,isomer #97	C[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	7044.1	Standard polar	33892256
Desmosine,5TMS,isomer #98	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4555.1	Semi standard non polar	33892256
Desmosine,5TMS,isomer #98	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4334.1	Standard non polar	33892256
Desmosine,5TMS,isomer #98	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	7076.3	Standard polar	33892256
Desmosine,5TMS,isomer #99	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4622.1	Semi standard non polar	33892256
Desmosine,5TMS,isomer #99	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	4485.3	Standard non polar	33892256
Desmosine,5TMS,isomer #99	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(CC[C@H](N[Si](C)(C)C)C(=O)O)=C1)C(=O)O	6089.4	Standard polar	33892256
Desmosine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O	4910.8	Semi standard non polar	33892256
Desmosine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O	4910.8	Semi standard non polar	33892256
Desmosine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O	4914.2	Semi standard non polar	33892256
Desmosine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O	4914.2	Semi standard non polar	33892256
Desmosine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1	4914.7	Semi standard non polar	33892256
Desmosine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1	4914.7	Semi standard non polar	33892256
Desmosine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	5041.3	Semi standard non polar	33892256
Desmosine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	5041.3	Semi standard non polar	33892256
Desmosine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	5045.0	Semi standard non polar	33892256
Desmosine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	5045.0	Semi standard non polar	33892256
Desmosine,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O)C(=O)O	5031.2	Semi standard non polar	33892256
Desmosine,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O)C(=O)O	5031.2	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1	4932.4	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1	4932.4	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5044.9	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5044.9	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	5038.9	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	5038.9	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5052.5	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5052.5	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	5043.2	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	5043.2	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	5032.2	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	5032.2	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)C(=O)O	5172.1	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)C(=O)O	5172.1	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	5158.2	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	5158.2	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N([C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O)[Si](C)(C)C(C)(C)C	5253.8	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N([C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)C(=O)O)[Si](C)(C)C(C)(C)C	5253.8	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	5177.6	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	5177.6	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5163.6	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5163.6	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCC[C@H](N)C(=O)O	4929.3	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCC[C@H](N)C(=O)O	4929.3	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N([C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	5263.3	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N([C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	5263.3	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N([C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	5242.0	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N([C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	5242.0	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	4933.4	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	4933.4	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5057.7	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5057.7	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5035.1	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5035.1	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	5041.1	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	5041.1	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5030.4	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5030.4	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1	4937.7	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1	4937.7	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5045.4	Semi standard non polar	33892256
Desmosine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5045.4	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1	4988.3	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1	4988.3	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5066.1	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5066.1	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5064.5	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5064.5	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5075.9	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5075.9	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5068.0	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5068.0	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5074.1	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5074.1	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5185.8	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5185.8	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	5191.3	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	5191.3	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5179.3	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5179.3	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5328.7	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5328.7	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)C(=O)O	5186.6	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)C(=O)O	5186.6	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1	4995.5	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1	4995.5	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5175.0	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5175.0	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O	5292.5	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O	5292.5	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5181.3	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5181.3	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1CCC[C@H](N)C(=O)O	5303.7	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1CCC[C@H](N)C(=O)O	5303.7	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5286.9	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5286.9	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5073.1	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5073.1	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5078.8	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5078.8	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5069.6	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5069.6	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5182.2	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5182.2	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	5176.1	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	5176.1	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5069.2	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5069.2	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5311.6	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5311.6	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)C(=O)O	5189.2	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)C(=O)O	5189.2	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5197.2	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5197.2	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5309.7	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5309.7	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O	5297.8	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O	5297.8	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	5189.2	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	5189.2	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	5177.0	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	5177.0	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5318.5	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5318.5	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	5196.9	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	5196.9	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5183.5	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5183.5	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	5076.8	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	5076.8	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	5309.6	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	5309.6	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1	5292.0	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1	5292.0	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)C(=O)O	5336.0	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)C(=O)O	5336.0	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)C(=O)O	5322.1	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)=C1)C(=O)O	5322.1	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	5398.8	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O	5398.8	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5411.8	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@H](N)C(=O)O)C(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5411.8	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	5384.5	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O)C(=O)O	5384.5	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	5388.9	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O)=C(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)O)=C1)C(=O)O	5388.9	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5328.4	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	5328.4	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	5417.0	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O	5417.0	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5067.7	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5067.7	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5393.6	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5393.6	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5402.8	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)N[C@@H](CCCC1=C(CC[C@H](N)C(=O)O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5402.8	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5075.2	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(CC[C@H](N)C(=O)O)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5075.2	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	4989.4	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC1=C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	4989.4	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5070.2	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1CCC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5070.2	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5067.9	Semi standard non polar	33892256
Desmosine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C(CCC[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5067.9	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_17) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_18) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Desmosine GC-MS (TMS_2_19) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Desmosine 10V, Positive-QTOF	splash10-0a4i-0001910000-2363646b9fae73859995	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Desmosine 20V, Positive-QTOF	splash10-02ai-1003900000-74df7d079e75ef71057d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Desmosine 40V, Positive-QTOF	splash10-0ik9-1009200000-c8c39723ce22c6427adf	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Urine

Tissue Locations

Epidermis
Kidney

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Detected and Quantified	0.0003 +/- 0.0002 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	14563926	details
Urine	Detected and Quantified	0.0015 +/- 0.000064 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	9453424	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Urine	Detected and Quantified	0.0025 +/- 0.0002 umol/mmol creatinine	Adult (>18 years old)	Both	Liver fibrosis	9453424	details

Associated Disorders and Diseases

Disease References

Cirrhosis
Afdhal NH, Keaveny AP, Cohen SB, Nunes DP, Maldonado N, O'Brien M, Stone PJ: Urinary assays for desmosine and hydroxylysylpyridinoline in the detection of cirrhosis. J Hepatol. 1997 Dec;27(6):993-1002. [PubMed:9453424 ]

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB000516

KNApSAcK ID

Not Available

Chemspider ID

13085543

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Desmosine

METLIN ID

5554

PubChem Compound

15942890

PDB ID

Not Available

ChEBI ID

37628

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Rencher, William Franklin, Jr. Design and synthesis of desmosine-like peptidyl carbamates as novel inhibitors of human leukocyte elastase. (1988), 164 pp. CAN 111:233627 AN 1989:633627

Material Safety Data Sheet (MSDS)

Not Available

General References

Luisetti M, Sturani C, Sella D, Madonini E, Galavotti V, Bruno G, Peona V, Kucich U, Dagnino G, Rosenbloom J, Starcher B, Grassi C: MR889, a neutrophil elastase inhibitor, in patients with chronic obstructive pulmonary disease: a double-blind, randomized, placebo-controlled clinical trial. Eur Respir J. 1996 Jul;9(7):1482-6. [PubMed:8836663 ]
Ono S, Yamauchi M: Elastin cross-linking in the skin from patients with amyotrophic lateral sclerosis. J Neurol Neurosurg Psychiatry. 1994 Jan;57(1):94-6. [PubMed:8301312 ]
Uitto J, Santa Cruz DJ, Starcher BC, Whyte MP, Murphy WA: Biochemical and ultrastructural demonstration of elastin accumulation in the skin lesions of the Buschke-Ollendorff syndrome. J Invest Dermatol. 1981 Apr;76(4):284-7. [PubMed:7205030 ]
Tenholder MF, Rajagopal KR, Phillips YY, Dillard TA, Bennett LL, Mundie TG, Tellis CJ: Urinary desmosine excretion as a marker of lung injury in the adult respiratory distress syndrome. Chest. 1991 Nov;100(5):1385-90. [PubMed:1935298 ]
Fill JA, Brandt JT, Wiedemann HP, Rinehart BL, Lindemann CF, Komara JJ, Bowsher RR, Spence MC, Zeiher BG: Urinary desmosine as a biomarker in acute lung injury. Biomarkers. 2006 Jan-Feb;11(1):85-96. [PubMed:16484139 ]
Viglio S, Iadarola P, Lupi A, Trisolini R, Tinelli C, Balbi B, Grassi V, Worlitzsch D, Doring G, Meloni F, Meyer KC, Dowson L, Hill SL, Stockley RA, Luisetti M: MEKC of desmosine and isodesmosine in urine of chronic destructive lung disease patients. Eur Respir J. 2000 Jun;15(6):1039-45. [PubMed:10885422 ]
Ma S, Lieberman S, Turino GM, Lin YY: The detection and quantitation of free desmosine and isodesmosine in human urine and their peptide-bound forms in sputum. Proc Natl Acad Sci U S A. 2003 Oct 28;100(22):12941-3. Epub 2003 Oct 16. [PubMed:14563926 ]
Oikarinen AI, Palatsi R, Adomian GE, Oikarinen H, Clark JG, Uitto J: Anetoderma: biochemical and ultrastructural demonstration of an elastin defect in the skin of three patients. J Am Acad Dermatol. 1984 Jul;11(1):64-72. [PubMed:6736354 ]
Wondrak GT, Roberts MJ, Jacobson MK, Jacobson EL: 3-hydroxypyridine chromophores are endogenous sensitizers of photooxidative stress in human skin cells. J Biol Chem. 2004 Jul 16;279(29):30009-20. Epub 2004 May 7. [PubMed:15133022 ]
Pasquali-Ronchetti I, Baccarani-Contri M: Elastic fiber during development and aging. Microsc Res Tech. 1997 Aug 15;38(4):428-35. [PubMed:9297692 ]
Viglio S, Annovazzi L, Luisetti M, Stolk J, Casado B, Iadarola P: Progress in the methodological strategies for the detection in real samples of desmosine and isodesmosine, two biological markers of elastin degradation. J Sep Sci. 2007 Feb;30(2):202-13. [PubMed:17390614 ]
Cantor JO, Shteyngart B: How a test for elastic fiber breakdown products in sputum could speed development of a treatment for pulmonary emphysema. Med Sci Monit. 2004 Jan;10(1):RA1-4. [PubMed:14704646 ]
Stone PJ: Potential use of collagen and elastin degradation markers for monitoring liver fibrosis in schistosomiasis. Acta Trop. 2000 Oct 23;77(1):97-9. [PubMed:10996125 ]

Showing metabocard for Desmosine (HMDB0000572)

MOL for HMDB0000572 (Desmosine)

3D MOL for HMDB0000572 (Desmosine)

3D SDF for HMDB0000572 (Desmosine)

3D-SDF for HMDB0000572 (Desmosine)

PDB for HMDB0000572 (Desmosine)

3D PDB for HMDB0000572 (Desmosine)

SMILES for HMDB0000572 (Desmosine)

INCHI for HMDB0000572 (Desmosine)

Structure for HMDB0000572 (Desmosine)

3D Structure for HMDB0000572 (Desmosine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra