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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

HMDB0000569

Secondary Accession Numbers

HMDB00569

Metabolite Identification

Common Name

Deoxypyridinoline

Description

Deoxypyridinoline (DPD) is a breakdown product of type I fibrillar collagen, it occurs mainly in Type I collagen of bone. DPD shows a high specificity for bone, and the measurement of urinary DPD is not influenced by newly collagens and dietary intake. DPD cross-links of type 1 collagen are excreted in urine either as free or peptide-bound moieties. It is the peptide-bound cross-links that decrease by the greatest amount in response to bisphosphonate therapy. DPD is one of the most extensively characterized biochemical bone markers, but the interpretation of results is hampered by biologic and other preanalytical variability. Biochemical bone markers can provide a valuable tool in the management of metabolic bone diseases. Their most recognized application in clinical practice is for monitoring treatment for osteoporosis as an adjunct to bone mineral density measurements. Other applications that have been investigated include their use as a diagnostic tool for bone diseases other than osteoporosis and as predictive markers for bone loss and the risk of bone fracture. DPD measured in urine follow a circadian or diurnal cycle with a peak in the early morning and nadir in the late afternoon to early evening. The magnitude of the diurnal change, i.e., nadir concentration divided by peak concentration, expressed as a percentage is around 70% (range, 53-75%). (PMID: 11805003 , 17229003 , 16751696 ).

Structure

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

Deoxypyridinoline .mol
  Mrv1652305231918162D          

 29 29  0  0  0  0            999 V2000
   -0.6188   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6188    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6188   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063   -1.4289    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6187    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8563   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2688   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0938   -1.4289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5063   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0938   -2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3313   -2.1434    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.5063   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4437   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8563   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6812   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0938   -2.1434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9187   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3312   -2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3313   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6812   -2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6188    1.4289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0313    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6188    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8563    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  1  6  2  0  0  0  0
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 11 12  2  0  0  0  0
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 10 11  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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  6 15  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  1  0  0  0
  3 24  1  0  0  0  0
M  CHG  2   6   1  13  -1
M  END

HMDB0000569
     RDKit          3D
Deoxypyridinoline
 57 57  0  0  0  0  0  0  0  0999 V2000
   -3.1112   -4.2143   -0.8574 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -3.1099    0.0515 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2991   -2.0724   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4937   -0.8858    0.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138    0.1080    0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2981    0.0084    1.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7502    0.8313    1.2142 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.9638    0.7218    2.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9398   -0.2755    1.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3319    0.1582    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486   -0.8005   -0.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5608   -1.0570   -0.0295 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4720   -1.6174    1.2940 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4483    0.1398   -0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9985    0.5054    1.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6716    0.8490   -1.2032 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7234    1.7662    0.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    1.8933   -0.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3842    2.8892   -1.5062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5035    1.0491   -0.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7028    1.2368   -1.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8048    2.0401   -0.5328 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8900    2.1048   -1.5083 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3654    3.4525   -0.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4946    3.7221    0.5493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8690    4.5043   -1.0637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7351   -2.5634   -0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3897   -1.8238    0.5030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3216   -2.8841   -1.4815 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.0127   -4.5463   -1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6453   -4.9626   -0.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3910   -3.4799    1.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2202   -1.7734   -1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2128   -0.7257    2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    1.7215    2.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7387    0.4168    3.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4337   -1.2664    1.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7918   -0.2995    2.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4156    0.3128   -0.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8067    1.1728    0.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3782   -0.4912   -1.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6990   -1.7914   -0.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1010   -1.8343   -0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1469   -2.6118    1.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4354   -1.6195    1.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2164    1.6870   -1.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5443    2.4449    0.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1072    3.0884   -2.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1827    0.2863   -1.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4273    1.7272   -2.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1668    1.6763    0.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6320    1.5636   -2.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7371    1.6620   -1.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3549    5.3748   -1.2035 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  2  0
  6  7  1  0
  7  8  1  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
  7 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
  2 27  1  0
 27 28  2  0
 27 29  1  0
 20  5  1  0
  1 30  1  0
  1 31  1  0
  2 32  1  1
  3 33  1  0
  3 34  1  0
  4 35  1  0
  4 36  1  0
  6 37  1  0
  8 38  1  0
  8 39  1  0
  9 40  1  0
  9 41  1  0
 10 42  1  0
 10 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  6
 13 47  1  0
 13 48  1  0
 16 49  1  0
 17 50  1  0
 19 51  1  0
 21 52  1  0
 21 53  1  0
 22 54  1  1
 23 55  1  0
 23 56  1  0
 26 57  1  0
M  CHG  2   7   1  29  -1
M  END

Deoxypyridinoline .mol
  Mrv1652305231918162D          

 29 29  0  0  0  0            999 V2000
   -0.6188   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6188    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6188   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063   -1.4289    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6187    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8563   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2688   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0938   -1.4289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5063   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0938   -2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3313   -2.1434    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.5063   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4437   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8563   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6812   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0938   -2.1434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9187   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3312   -2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3313   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6812   -2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6188    1.4289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0313    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6188    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8563    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  1  0  0  0
  2  8  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  1  0  0  0
  6 15  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  1  0  0  0
  3 24  1  0  0  0  0
M  CHG  2   6   1  13  -1
M  END
> <DATABASE_ID>
HMDB0000569

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C18H28N4O7/c19-12(16(24)25)3-1-2-6-22-8-10(4-5-13(20)17(26)27)11(15(23)9-22)7-14(21)18(28)29/h8-9,12-14H,1-7,19-21H2,(H3-,23,24,25,26,27,28,29)/t12-,13-,14-/m0/s1

> <INCHI_KEY>
ZAHDXEIQWWLQQL-IHRRRGAJSA-N

> <FORMULA>
C18H28N4O7

> <MOLECULAR_WEIGHT>
412.4375

> <EXACT_MASS>
412.19579927

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
42.079922669538455

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-1-[(5S)-5-amino-5-carboxypentyl]-5-hydroxypyridin-1-ium

> <ALOGPS_LOGP>
-4.14

> <JCHEM_LOGP>
-11.722665819440643

> <ALOGPS_LOGS>
-3.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
1.3458787734050337

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8331738130210695

> <JCHEM_PKA_STRONGEST_BASIC>
9.904996540658768

> <JCHEM_POLAR_SURFACE_AREA>
216.89999999999998

> <JCHEM_REFRACTIVITY>
113.48279999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.48e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-1-[(5S)-5-amino-5-carboxypentyl]-5-hydroxypyridin-1-ium

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000569
     RDKit          3D
Deoxypyridinoline
 57 57  0  0  0  0  0  0  0  0999 V2000
   -3.1112   -4.2143   -0.8574 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -3.1099    0.0515 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2991   -2.0724   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4937   -0.8858    0.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138    0.1080    0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2981    0.0084    1.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7502    0.8313    1.2142 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.9638    0.7218    2.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9398   -0.2755    1.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3319    0.1582    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486   -0.8005   -0.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5608   -1.0570   -0.0295 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4720   -1.6174    1.2940 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4483    0.1398   -0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9985    0.5054    1.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6716    0.8490   -1.2032 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7234    1.7662    0.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    1.8933   -0.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3842    2.8892   -1.5062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5035    1.0491   -0.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7028    1.2368   -1.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8048    2.0401   -0.5328 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8900    2.1048   -1.5083 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3654    3.4525   -0.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4946    3.7221    0.5493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8690    4.5043   -1.0637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7351   -2.5634   -0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3897   -1.8238    0.5030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3216   -2.8841   -1.4815 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.0127   -4.5463   -1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6453   -4.9626   -0.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3910   -3.4799    1.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2202   -1.7734   -1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3570   -2.6082    0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4119   -1.2647    1.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5001   -0.5353    0.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2128   -0.7257    2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    1.7215    2.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7387    0.4168    3.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4337   -1.2664    1.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7918   -0.2995    2.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4156    0.3128   -0.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8067    1.1728    0.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3782   -0.4912   -1.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6990   -1.7914   -0.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1010   -1.8343   -0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1469   -2.6118    1.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4354   -1.6195    1.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2164    1.6870   -1.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5443    2.4449    0.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1072    3.0884   -2.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1827    0.2863   -1.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4273    1.7272   -2.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1668    1.6763    0.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6320    1.5636   -2.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7371    1.6620   -1.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3549    5.3748   -1.2035 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  2  0
  6  7  1  0
  7  8  1  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
  7 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
  2 27  1  0
 27 28  2  0
 27 29  1  0
 20  5  1  0
  1 30  1  0
  1 31  1  0
  2 32  1  1
  3 33  1  0
  3 34  1  0
  4 35  1  0
  4 36  1  0
  6 37  1  0
  8 38  1  0
  8 39  1  0
  9 40  1  0
  9 41  1  0
 10 42  1  0
 10 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  6
 13 47  1  0
 13 48  1  0
 16 49  1  0
 17 50  1  0
 19 51  1  0
 21 52  1  0
 21 53  1  0
 22 54  1  1
 23 55  1  0
 23 56  1  0
 26 57  1  0
M  CHG  2   7   1  29  -1
M  END

HEADER    PROTEIN                                 23-MAY-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Deoxypyridinoline .mol                            
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-MAY-19         0                                  
HETATM    1  C   UNK     0      -1.155  -2.667   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.925  -1.334   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.155   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.385   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.155  -1.334   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       0.385  -2.667   0.000  0.00  0.00           N+1
HETATM    7  O   UNK     0       1.155   1.334   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -3.465  -1.334   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.235  -2.667   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.775  -2.667   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -6.545  -4.001   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -5.775  -5.335   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -8.085  -4.001   0.000  0.00  0.00           O-1
HETATM   14  N   UNK     0      -6.545  -1.334   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       1.155  -4.001   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.695  -4.001   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.465  -2.667   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.005  -2.667   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.775  -4.001   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.315  -4.001   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       8.085  -5.335   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       8.085  -2.667   0.000  0.00  0.00           O+0
HETATM   23  N   UNK     0       5.005  -5.335   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0      -1.925   1.334   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.155   2.667   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.925   4.001   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -1.155   5.335   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -3.465   4.001   0.000  0.00  0.00           O+0
HETATM   29  N   UNK     0       0.385   2.667   0.000  0.00  0.00           N+0
CONECT    1    2    6                                                       
CONECT    2    1    3    8                                                  
CONECT    3    2    4   24                                                  
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1   15                                                  
CONECT    7    4                                                            
CONECT    8    9    2                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   14                                                  
CONECT   11   12   13   10                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   10                                                            
CONECT   15   16    6                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   23                                                  
CONECT   20   21   22   19                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   19                                                            
CONECT   24   25    3                                                       
CONECT   25   24   26   29                                                  
CONECT   26   27   28   25                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   25                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   58    0
END

COMPND    HMDB0000569
HETATM    1  N1  UNL     1      -3.111  -4.214  -0.857  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.396  -3.110   0.051  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.299  -2.072  -0.083  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.494  -0.886   0.838  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.414   0.108   0.642  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.298   0.008   1.408  1.00  0.00           C  
HETATM    7  N2  UNL     1       0.750   0.831   1.214  1.00  0.00           N1+
HETATM    8  C6  UNL     1       1.964   0.722   2.027  1.00  0.00           C  
HETATM    9  C7  UNL     1       2.940  -0.276   1.388  1.00  0.00           C  
HETATM   10  C8  UNL     1       3.332   0.158   0.017  1.00  0.00           C  
HETATM   11  C9  UNL     1       4.249  -0.801  -0.675  1.00  0.00           C  
HETATM   12  C10 UNL     1       5.561  -1.057  -0.029  1.00  0.00           C  
HETATM   13  N3  UNL     1       5.472  -1.617   1.294  1.00  0.00           N  
HETATM   14  C11 UNL     1       6.448   0.140  -0.036  1.00  0.00           C  
HETATM   15  O1  UNL     1       6.999   0.505   1.032  1.00  0.00           O  
HETATM   16  O2  UNL     1       6.672   0.849  -1.203  1.00  0.00           O  
HETATM   17  C12 UNL     1       0.723   1.766   0.268  1.00  0.00           C  
HETATM   18  C13 UNL     1      -0.421   1.893  -0.540  1.00  0.00           C  
HETATM   19  O3  UNL     1      -0.384   2.889  -1.506  1.00  0.00           O  
HETATM   20  C14 UNL     1      -1.503   1.049  -0.346  1.00  0.00           C  
HETATM   21  C15 UNL     1      -2.703   1.237  -1.173  1.00  0.00           C  
HETATM   22  C16 UNL     1      -3.805   2.040  -0.533  1.00  0.00           C  
HETATM   23  N4  UNL     1      -4.890   2.105  -1.508  1.00  0.00           N  
HETATM   24  C17 UNL     1      -3.365   3.452  -0.329  1.00  0.00           C  
HETATM   25  O4  UNL     1      -2.495   3.722   0.549  1.00  0.00           O  
HETATM   26  O5  UNL     1      -3.869   4.504  -1.064  1.00  0.00           O  
HETATM   27  C18 UNL     1      -4.735  -2.563  -0.261  1.00  0.00           C  
HETATM   28  O6  UNL     1      -5.390  -1.824   0.503  1.00  0.00           O  
HETATM   29  O7  UNL     1      -5.322  -2.884  -1.482  1.00  0.00           O1-
HETATM   30  H1  UNL     1      -4.013  -4.546  -1.231  1.00  0.00           H  
HETATM   31  H2  UNL     1      -2.645  -4.963  -0.319  1.00  0.00           H  
HETATM   32  H3  UNL     1      -3.391  -3.480   1.086  1.00  0.00           H  
HETATM   33  H4  UNL     1      -2.220  -1.773  -1.135  1.00  0.00           H  
HETATM   34  H5  UNL     1      -1.357  -2.608   0.231  1.00  0.00           H  
HETATM   35  H6  UNL     1      -2.412  -1.265   1.886  1.00  0.00           H  
HETATM   36  H7  UNL     1      -3.500  -0.535   0.707  1.00  0.00           H  
HETATM   37  H8  UNL     1      -0.213  -0.726   2.192  1.00  0.00           H  
HETATM   38  H9  UNL     1       2.435   1.721   2.076  1.00  0.00           H  
HETATM   39  H10 UNL     1       1.739   0.417   3.057  1.00  0.00           H  
HETATM   40  H11 UNL     1       2.434  -1.266   1.364  1.00  0.00           H  
HETATM   41  H12 UNL     1       3.792  -0.300   2.091  1.00  0.00           H  
HETATM   42  H13 UNL     1       2.416   0.313  -0.628  1.00  0.00           H  
HETATM   43  H14 UNL     1       3.807   1.173   0.056  1.00  0.00           H  
HETATM   44  H15 UNL     1       4.378  -0.491  -1.758  1.00  0.00           H  
HETATM   45  H16 UNL     1       3.699  -1.791  -0.774  1.00  0.00           H  
HETATM   46  H17 UNL     1       6.101  -1.834  -0.660  1.00  0.00           H  
HETATM   47  H18 UNL     1       5.147  -2.612   1.270  1.00  0.00           H  
HETATM   48  H19 UNL     1       6.435  -1.620   1.695  1.00  0.00           H  
HETATM   49  H20 UNL     1       7.216   1.687  -1.212  1.00  0.00           H  
HETATM   50  H21 UNL     1       1.544   2.445   0.084  1.00  0.00           H  
HETATM   51  H22 UNL     1      -1.107   3.088  -2.120  1.00  0.00           H  
HETATM   52  H23 UNL     1      -3.183   0.286  -1.495  1.00  0.00           H  
HETATM   53  H24 UNL     1      -2.427   1.727  -2.116  1.00  0.00           H  
HETATM   54  H25 UNL     1      -4.167   1.676   0.423  1.00  0.00           H  
HETATM   55  H26 UNL     1      -4.632   1.564  -2.354  1.00  0.00           H  
HETATM   56  H27 UNL     1      -5.737   1.662  -1.059  1.00  0.00           H  
HETATM   57  H28 UNL     1      -3.355   5.375  -1.204  1.00  0.00           H  
CONECT    1    2   30   31
CONECT    2    3   27   32
CONECT    3    4   33   34
CONECT    4    5   35   36
CONECT    5    6    6   20
CONECT    6    7   37
CONECT    7    8   17   17
CONECT    8    9   38   39
CONECT    9   10   40   41
CONECT   10   11   42   43
CONECT   11   12   44   45
CONECT   12   13   14   46
CONECT   13   47   48
CONECT   14   15   15   16
CONECT   16   49
CONECT   17   18   50
CONECT   18   19   20   20
CONECT   19   51
CONECT   20   21
CONECT   21   22   52   53
CONECT   22   23   24   54
CONECT   23   55   56
CONECT   24   25   25   26
CONECT   26   57
CONECT   27   28   28   29
END

HMDB0000569
     RDKit          3D
Deoxypyridinoline
 57 57  0  0  0  0  0  0  0  0999 V2000
   -3.1112   -4.2143   -0.8574 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -3.1099    0.0515 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2991   -2.0724   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4937   -0.8858    0.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138    0.1080    0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2981    0.0084    1.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7502    0.8313    1.2142 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.9638    0.7218    2.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9398   -0.2755    1.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3319    0.1582    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486   -0.8005   -0.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5608   -1.0570   -0.0295 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4720   -1.6174    1.2940 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4483    0.1398   -0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9985    0.5054    1.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6716    0.8490   -1.2032 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7234    1.7662    0.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    1.8933   -0.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3842    2.8892   -1.5062 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5035    1.0491   -0.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7028    1.2368   -1.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8048    2.0401   -0.5328 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8900    2.1048   -1.5083 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3654    3.4525   -0.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4946    3.7221    0.5493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8690    4.5043   -1.0637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7351   -2.5634   -0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3897   -1.8238    0.5030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3216   -2.8841   -1.4815 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.0127   -4.5463   -1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6453   -4.9626   -0.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3910   -3.4799    1.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2202   -1.7734   -1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3570   -2.6082    0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4119   -1.2647    1.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5001   -0.5353    0.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2128   -0.7257    2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    1.7215    2.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7387    0.4168    3.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4337   -1.2664    1.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7918   -0.2995    2.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4156    0.3128   -0.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8067    1.1728    0.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3782   -0.4912   -1.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6990   -1.7914   -0.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1010   -1.8343   -0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1469   -2.6118    1.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4354   -1.6195    1.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2164    1.6870   -1.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5443    2.4449    0.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1072    3.0884   -2.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1827    0.2863   -1.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4273    1.7272   -2.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1668    1.6763    0.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6320    1.5636   -2.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7371    1.6620   -1.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3549    5.3748   -1.2035 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  2  0
  6  7  1  0
  7  8  1  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
  7 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
  2 27  1  0
 27 28  2  0
 27 29  1  0
 20  5  1  0
  1 30  1  0
  1 31  1  0
  2 32  1  1
  3 33  1  0
  3 34  1  0
  4 35  1  0
  4 36  1  0
  6 37  1  0
  8 38  1  0
  8 39  1  0
  9 40  1  0
  9 41  1  0
 10 42  1  0
 10 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  6
 13 47  1  0
 13 48  1  0
 16 49  1  0
 17 50  1  0
 19 51  1  0
 21 52  1  0
 21 53  1  0
 22 54  1  1
 23 55  1  0
 23 56  1  0
 26 57  1  0
M  CHG  2   7   1  29  -1
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
4-(2-Amino-2-carboxyethyl)-1-(5-amino-5-carboxypentyl)-3-(3-amino-3-carboxypropyl)-5-hydroxy-pyridinium inner salt stereoisomer	HMDB
Deoxipyridinoline	HMDB
Deoxy-pyridinoline	HMDB
Deoxypiridinoline	HMDB
Deoxypirydynoline	HMDB
Deoxypyridinolone	HMDB
Deoxypyridoline	HMDB
Desoxypyridinoline	HMDB
Lysylpyridinoline	HMDB
N-(5-Amino-5-carboxypentyl)-3-hydroxy-4-(2-amino-2-carboxyethyl)-5-(3-amino-3-carboxypropyl)pyridine	HMDB

Chemical Formula

C₁₈H₂₈N₄O₇

Average Molecular Weight

412.4375

Monoisotopic Molecular Weight

412.19579927

IUPAC Name

4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-1-[(5S)-5-amino-5-carboxypentyl]-5-hydroxypyridin-1-ium

Traditional Name

4-[(2S)-2-amino-2-carboxyethyl]-3-[(3S)-3-amino-3-carboxypropyl]-1-[(5S)-5-amino-5-carboxypentyl]-5-hydroxypyridin-1-ium

CAS Registry Number

83462-55-9

SMILES

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

InChI Identifier

InChI=1S/C18H28N4O7/c19-12(16(24)25)3-1-2-6-22-8-10(4-5-13(20)17(26)27)11(15(23)9-22)7-14(21)18(28)29/h8-9,12-14H,1-7,19-21H2,(H3-,23,24,25,26,27,28,29)/t12-,13-,14-/m0/s1

InChI Key

ZAHDXEIQWWLQQL-IHRRRGAJSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

L-alpha-amino acids

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Kidney (HMDB: HMDB0000569)

Tissue

Muscle tissue

Skeletal Muscle (HMDB: HMDB0000569)

Cell

Hematocyte

Platelet (HMDB: HMDB0000569)

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 9640412)

Excreta

Biofluid or Excreta

Urine (PMID: 17022050)

Cellular substructure

Cytoplasm (HMDB: HMDB0000569)

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Process

Not Available

Role

Industrial application

Pharmaceutical industry

Biomarker

Heart failure (MarkerDB: MDB00000190)

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	0.15 g/L	ALOGPS
logP	-4.1	ALOGPS
logP	-12	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	0.83	ChemAxon
pKa (Strongest Basic)	9.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	216.9 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	113.48 m³·mol⁻¹	ChemAxon
Polarizability	42.08 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
AllCCS	[M+H]+	192.076	32859911
AllCCS	[M-H]-	191.64	32859911
DeepCCS	[M+H]+	191.667	30932474
DeepCCS	[M-H]-	189.271	30932474
DeepCCS	[M-2H]-	222.154	30932474
DeepCCS	[M+Na]+	197.58	30932474
AllCCS	[M+H]+	192.1	32859911
AllCCS	[M+H-H2O]+	189.9	32859911
AllCCS	[M+NH4]+	194.1	32859911
AllCCS	[M+Na]+	194.6	32859911
AllCCS	[M-H]-	191.6	32859911
AllCCS	[M+Na-2H]-	191.2	32859911
AllCCS	[M+HCOO]-	190.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Deoxypyridinoline	N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C([O-])=O)=C(C[C@H](N)C(O)=O)C(O)=C1)C(O)=O	5132.4	Standard polar	33892256
Deoxypyridinoline	N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C([O-])=O)=C(C[C@H](N)C(O)=O)C(O)=C1)C(O)=O	3495.8	Standard non polar	33892256
Deoxypyridinoline	N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C([O-])=O)=C(C[C@H](N)C(O)=O)C(O)=C1)C(O)=O	3901.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Deoxypyridinoline,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)[O-]	3613.5	Semi standard non polar	33892256
Deoxypyridinoline,1TMS,isomer #2	C[Si](C)(C)OC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)[O-])=C1C[C@H](N)C(=O)O	3673.8	Semi standard non polar	33892256
Deoxypyridinoline,1TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)[O-])=C1	3599.2	Semi standard non polar	33892256
Deoxypyridinoline,1TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)[O-])=C1)C(=O)O	3729.9	Semi standard non polar	33892256
Deoxypyridinoline,1TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)[O-]	3734.8	Semi standard non polar	33892256
Deoxypyridinoline,1TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)[O-])C(=O)O	3724.9	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@H](N)C(=O)[O-])C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C	3555.1	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)[O-])=C1)C(=O)O[Si](C)(C)C	3554.9	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #11	C[Si](C)(C)N[C@@H](CC1=C(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	3563.0	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #12	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)[O-]	3553.8	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #13	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(CC[C@H](N)C(=O)[O-])=C1)C(=O)O	3693.5	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)[O-]	3700.4	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #15	C[Si](C)(C)N([C@@H](CCCC[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)[O-])=C1)C(=O)O)[Si](C)(C)C	3829.8	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3697.6	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #17	C[Si](C)(C)N([C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)[O-])[Si](C)(C)C	3876.8	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #18	C[Si](C)(C)N([C@@H](CC1=C(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	3831.7	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)[O-])=C1	3470.7	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #3	C[Si](C)(C)N[C@@H](CC1=C(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	3556.1	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(CC[C@H](N)C(=O)[O-])=C1)C(=O)O	3574.3	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3565.0	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1	3537.1	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)O	3649.9	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #8	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	3651.6	Semi standard non polar	33892256
Deoxypyridinoline,2TMS,isomer #9	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)[O-])C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C)C(=O)O	3652.2	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3473.6	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CC1=C(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	3689.4	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3573.6	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(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-]	3696.4	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #13	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(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	3722.9	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	3528.3	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #15	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	3529.8	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #16	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)[O-])C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3549.4	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	3662.5	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #18	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)O	3656.7	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #19	C[Si](C)(C)OC1=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-])=C1C[C@H](N)C(=O)O	3762.2	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)[O-])C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3538.7	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #20	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3658.9	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #21	C[Si](C)(C)OC1=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)=C1C[C@H](N)C(=O)O	3799.2	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #22	C[Si](C)(C)OC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)[O-])=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3767.8	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #23	C[Si](C)(C)N[C@@H](CC1=C(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	3571.1	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #24	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(O)=C1C[C@H](N)C(=O)O)C(=O)[O-]	3560.5	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)[O-])=C1)N([Si](C)(C)C)[Si](C)(C)C	3693.6	Semi standard non polar	33892256
Deoxypyridinoline,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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3568.6	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(CC[C@H](N)C(=O)[O-])=C1	3688.2	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=C1	3712.8	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #29	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3713.8	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3536.7	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #30	C[Si](C)(C)N[C@@H](CC1=C(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	3788.5	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #31	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3795.2	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #32	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3846.2	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #33	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(O)=C1C[C@H](N)C(=O)O)C(=O)[O-]	3790.2	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #34	C[Si](C)(C)N[C@@H](CC1=C(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	3844.4	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #35	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3792.3	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	3551.9	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3457.8	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=C(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	3453.6	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3461.4	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #8	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3571.3	Semi standard non polar	33892256
Deoxypyridinoline,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3556.1	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	3476.9	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	3516.6	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	5406.9	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3479.0	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3663.4	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	5025.4	Standard polar	33892256
Deoxypyridinoline,4TMS,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(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3487.5	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,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(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3635.0	Standard non polar	33892256
Deoxypyridinoline,4TMS,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(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	4877.2	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(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-]	3610.6	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(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-]	3674.9	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(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-]	5452.3	Standard polar	33892256
Deoxypyridinoline,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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3482.9	Semi standard non polar	33892256
Deoxypyridinoline,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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3648.1	Standard non polar	33892256
Deoxypyridinoline,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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	4964.2	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[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	3605.2	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[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	3692.8	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[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	5526.1	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[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	3617.1	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[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	3636.5	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[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	5392.5	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3617.2	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3731.6	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #16	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	4668.5	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CC1=C(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	3685.5	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CC1=C(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	3757.3	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CC1=C(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	5108.6	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #18	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3693.3	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #18	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3760.4	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #18	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	5144.0	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #19	C[Si](C)(C)N[C@@H](CC1=C(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	3721.4	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #19	C[Si](C)(C)N[C@@H](CC1=C(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	3732.0	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #19	C[Si](C)(C)N[C@@H](CC1=C(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	5170.5	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3478.0	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3492.3	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	5379.5	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #20	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3689.6	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #20	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3754.2	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #20	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	5194.5	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #21	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3735.3	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #21	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3709.2	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #21	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	4972.2	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #22	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(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3694.5	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #22	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(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3729.0	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #22	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(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	4960.6	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #23	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	3563.4	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #23	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	3600.6	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #23	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	5047.8	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #24	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O	3574.5	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #24	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O	3636.7	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #24	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O	5065.6	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	3671.8	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	3650.3	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	5566.1	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #26	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3582.6	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #26	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3613.6	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #26	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	5008.3	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #27	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(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1	3693.8	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #27	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(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1	3603.3	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #27	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(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1	5508.1	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3672.0	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3654.0	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5507.5	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #29	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3711.5	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #29	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3711.5	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #29	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	4740.1	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)[O-])C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3478.8	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)[O-])C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3527.3	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)[O-])C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	5470.3	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #30	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(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)O	3802.9	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #30	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(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)O	3690.9	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #30	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(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)O	5138.1	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #31	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	3752.7	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #31	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	3712.7	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #31	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	5127.6	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #32	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O	3747.9	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #32	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O	3738.4	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #32	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O	5149.0	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #33	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	3754.3	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #33	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	3743.1	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #33	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	5148.4	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #34	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O	3800.8	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #34	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O	3705.0	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #34	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O	5210.2	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #35	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3754.0	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #35	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3731.2	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #35	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	5198.4	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #36	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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3616.7	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #36	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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3732.9	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #36	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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	4651.5	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #37	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3691.9	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #37	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3763.5	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #37	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	5102.0	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #38	C[Si](C)(C)N[C@@H](CC1=C(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	3686.3	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #38	C[Si](C)(C)N[C@@H](CC1=C(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	3754.5	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #38	C[Si](C)(C)N[C@@H](CC1=C(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	5138.9	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #39	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3725.6	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #39	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3715.7	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #39	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	5088.3	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3560.5	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3618.1	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	5118.0	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #40	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(O)=C1C[C@H](N)C(=O)O)C(=O)[O-]	3688.5	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #40	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(O)=C1C[C@H](N)C(=O)O)C(=O)[O-]	3732.3	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #40	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(O)=C1C[C@H](N)C(=O)O)C(=O)[O-]	5113.0	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #41	C[Si](C)(C)N[C@@H](CC1=C(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	3721.4	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #41	C[Si](C)(C)N[C@@H](CC1=C(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	3721.8	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #41	C[Si](C)(C)N[C@@H](CC1=C(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	5053.4	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #42	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3686.0	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #42	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3746.7	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #42	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	5040.9	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #43	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3862.4	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #43	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3773.6	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #43	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	4801.8	Standard polar	33892256
Deoxypyridinoline,4TMS,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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3796.3	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3802.4	Standard non polar	33892256
Deoxypyridinoline,4TMS,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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	4796.9	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #45	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3802.0	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #45	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3806.1	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #45	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	4797.3	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #46	C[Si](C)(C)N([C@@H](CCCC[N+]1=CC(O)=C(C[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	3880.5	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #46	C[Si](C)(C)N([C@@H](CCCC[N+]1=CC(O)=C(C[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	3860.2	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #46	C[Si](C)(C)N([C@@H](CCCC[N+]1=CC(O)=C(C[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	5200.7	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #47	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(O)=C1C[C@H](N)C(=O)O)C(=O)[O-])[Si](C)(C)C	3953.8	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #47	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(O)=C1C[C@H](N)C(=O)O)C(=O)[O-])[Si](C)(C)C	3813.9	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #47	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(O)=C1C[C@H](N)C(=O)O)C(=O)[O-])[Si](C)(C)C	5186.0	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #48	C[Si](C)(C)N([C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C	3958.4	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #48	C[Si](C)(C)N([C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C	3827.2	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #48	C[Si](C)(C)N([C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C	5265.5	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	3575.2	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	3634.6	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	5066.9	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC1=C(CC[C@H](N)C(=O)[O-])C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3671.0	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC1=C(CC[C@H](N)C(=O)[O-])C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3669.1	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC1=C(CC[C@H](N)C(=O)[O-])C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5629.1	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3587.3	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3599.1	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	4931.2	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](N)CC1=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=C1O[Si](C)(C)C	3697.6	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](N)CC1=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=C1O[Si](C)(C)C	3604.6	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](N)CC1=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=C1O[Si](C)(C)C	5504.2	Standard polar	33892256
Deoxypyridinoline,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@@H](N)CC1=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=C1O[Si](C)(C)C	3677.6	Semi standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@@H](N)CC1=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=C1O[Si](C)(C)C	3637.5	Standard non polar	33892256
Deoxypyridinoline,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@@H](N)CC1=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=C1O[Si](C)(C)C	5438.0	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #1	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3519.3	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #1	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3600.8	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #1	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	4669.0	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3678.2	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3724.3	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4880.3	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	3697.9	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	3727.1	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	4912.4	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #12	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(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	3726.0	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #12	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(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	3671.0	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #12	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(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	4754.5	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #13	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3683.0	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #13	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3695.6	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #13	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	4744.9	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #14	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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3542.1	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #14	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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3749.9	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #14	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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	4312.1	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #15	C[Si](C)(C)N[C@@H](CC1=C(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	3639.4	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #15	C[Si](C)(C)N[C@@H](CC1=C(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	3754.0	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #15	C[Si](C)(C)N[C@@H](CC1=C(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	4858.6	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #16	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3633.5	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #16	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3760.3	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #16	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	4859.4	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #17	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3652.6	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #17	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3707.0	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #17	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	4690.4	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #18	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(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3632.3	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #18	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(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3724.2	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #18	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(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	4709.9	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #19	C[Si](C)(C)N[C@@H](CC1=C(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	3647.3	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #19	C[Si](C)(C)N[C@@H](CC1=C(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	3720.1	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #19	C[Si](C)(C)N[C@@H](CC1=C(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	4772.6	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	3515.9	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	3630.8	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4800.9	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #20	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3624.8	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #20	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3743.3	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #20	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	4793.9	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #21	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3771.5	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #21	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3798.4	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #21	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	4461.4	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #22	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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3729.8	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #22	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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3821.8	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #22	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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	4463.0	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #23	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3735.9	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #23	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3818.2	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #23	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	4492.2	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H](CC1=C(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	3842.2	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H](CC1=C(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	3863.3	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H](CC1=C(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	4943.9	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CC1=C(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	3895.4	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CC1=C(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	3837.4	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #25	C[Si](C)(C)OC(=O)[C@H](CC1=C(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	4992.2	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #26	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(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	3882.2	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #26	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(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	3806.1	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #26	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(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	4781.4	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #27	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(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3639.4	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #27	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(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3720.0	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #27	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(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	4402.8	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #28	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(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	3717.6	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #28	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(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	3673.9	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #28	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(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4863.0	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #29	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	3696.4	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #29	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	3692.5	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #29	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	4882.9	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CC1=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=C1O[Si](C)(C)C	3644.2	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CC1=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=C1O[Si](C)(C)C	3625.6	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CC1=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=C1O[Si](C)(C)C	5258.7	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #30	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	3678.2	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #30	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	3729.7	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #30	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4880.1	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #31	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O	3689.7	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #31	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O	3722.2	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #31	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O	4909.5	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #32	C[Si](C)(C)N[C@@H](CC1=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[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3711.3	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #32	C[Si](C)(C)N[C@@H](CC1=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[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3683.6	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #32	C[Si](C)(C)N[C@@H](CC1=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[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	4827.0	Standard polar	33892256
Deoxypyridinoline,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(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3673.1	Semi standard non polar	33892256
Deoxypyridinoline,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(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3710.5	Standard non polar	33892256
Deoxypyridinoline,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(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	4818.2	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #34	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(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)O	3842.1	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #34	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(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)O	3768.3	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #34	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(C[C@H](N[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C1)C(=O)O	4538.3	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #35	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(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3780.0	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #35	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(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3795.0	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #35	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(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	4539.1	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #36	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3787.6	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #36	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3798.2	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #36	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	4540.4	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #37	C[Si](C)(C)OC1=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)=C1C[C@H](N)C(=O)O	3932.7	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #37	C[Si](C)(C)OC1=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)=C1C[C@H](N)C(=O)O	3783.4	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #37	C[Si](C)(C)OC1=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)=C1C[C@H](N)C(=O)O	4944.7	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #38	C[Si](C)(C)OC1=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-])=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3867.6	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #38	C[Si](C)(C)OC1=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-])=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3837.6	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #38	C[Si](C)(C)OC1=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-])=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4960.1	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #39	C[Si](C)(C)OC1=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)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3946.3	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #39	C[Si](C)(C)OC1=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)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3801.8	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #39	C[Si](C)(C)OC1=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)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5008.3	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3518.6	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3611.4	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	4741.4	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #40	C[Si](C)(C)N[C@@H](CC1=C(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	3773.7	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #40	C[Si](C)(C)N[C@@H](CC1=C(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	3798.4	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #40	C[Si](C)(C)N[C@@H](CC1=C(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	4443.3	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #41	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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3727.9	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #41	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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3811.8	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #41	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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	4474.1	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #42	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(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3726.6	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #42	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(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3826.9	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #42	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(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	4446.1	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #43	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(O)=C(C[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	3835.1	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #43	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(O)=C(C[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	3861.5	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #43	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(O)=C(C[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	4937.0	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #44	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(O)=C(C[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	3885.3	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #44	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(O)=C(C[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	3813.1	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #44	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(O)=C(C[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	4917.8	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #45	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[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	3880.0	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #45	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[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	3826.3	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #45	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[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	4857.9	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #46	C[Si](C)(C)N[C@@H](CC1=C(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	3980.1	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #46	C[Si](C)(C)N[C@@H](CC1=C(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	3879.6	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #46	C[Si](C)(C)N[C@@H](CC1=C(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	4592.2	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #47	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3985.3	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #47	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	3885.5	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #47	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	4592.7	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #48	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(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3919.8	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #48	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(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3910.9	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #48	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(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	4590.4	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #5	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(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3641.7	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #5	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(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3583.3	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #5	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(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5198.6	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3634.1	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3641.1	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1	5318.9	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3639.2	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3717.1	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	4413.6	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #8	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3719.3	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #8	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3688.8	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #8	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4930.0	Standard polar	33892256
Deoxypyridinoline,5TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3698.7	Semi standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3714.1	Standard non polar	33892256
Deoxypyridinoline,5TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	4951.9	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #1	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(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3583.7	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #1	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(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3721.9	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #1	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(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	4077.4	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3766.7	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3794.8	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	4244.1	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CC1=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=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3917.6	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CC1=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=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3792.6	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CC1=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=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4791.9	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CC1=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=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3852.3	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CC1=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=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3826.0	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CC1=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=C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4757.7	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #13	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C	3896.9	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #13	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C	3773.1	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #13	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C	4616.2	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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[Si](C)(C)C	3716.8	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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[Si](C)(C)C	3811.7	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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[Si](C)(C)C	4107.7	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #15	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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3696.9	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #15	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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3827.2	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #15	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(O)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	4140.0	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #16	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(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3698.5	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #16	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(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3834.7	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #16	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(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	4140.0	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(O)=C(C[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)N([Si](C)(C)C)[Si](C)(C)C	3815.7	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(O)=C(C[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)N([Si](C)(C)C)[Si](C)(C)C	3855.0	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(O)=C(C[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)N([Si](C)(C)C)[Si](C)(C)C	4724.8	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #18	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(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](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C	3851.1	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #18	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(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](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C	3801.1	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #18	C[Si](C)(C)OC(=O)[C@@H](N)CC1=C(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](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C	4567.2	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #19	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)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	3851.5	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #19	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)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	3821.5	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #19	C[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)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	4645.7	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #2	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(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	3682.7	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #2	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(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	3677.9	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #2	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(C[C@H](N)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4526.0	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #20	C[Si](C)(C)N[C@@H](CC1=C(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[Si](C)(C)C	3943.7	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #20	C[Si](C)(C)N[C@@H](CC1=C(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[Si](C)(C)C	3888.6	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #20	C[Si](C)(C)N[C@@H](CC1=C(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[Si](C)(C)C	4266.6	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #21	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)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	3948.9	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #21	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)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	3887.7	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #21	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C)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	4290.3	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #22	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(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3902.2	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #22	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(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3910.7	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #22	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(O)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	4292.2	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #23	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3780.6	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #23	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3773.9	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #23	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=[N+](CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	4198.7	Standard polar	33892256
Deoxypyridinoline,6TMS,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(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3756.5	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,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(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	3790.5	Standard non polar	33892256
Deoxypyridinoline,6TMS,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(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[O-]	4229.7	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #25	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(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3737.8	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #25	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(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3804.5	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #25	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(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	4209.2	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	3907.7	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	3774.0	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	4730.6	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	3847.8	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	3826.3	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	4755.1	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #28	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(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3895.2	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #28	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(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1	3789.4	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #28	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(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1	4680.6	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #29	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3984.5	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #29	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	3854.9	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #29	C[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C=[N+](CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O	4347.5	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #3	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3675.8	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #3	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	3693.7	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #3	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(O[Si](C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[O-]	4538.7	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #30	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(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	3994.1	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #30	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(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	3860.0	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #30	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(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	4350.3	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #31	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(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3930.0	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #31	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(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3886.1	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #31	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(O[Si](C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	4351.9	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #32	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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[Si](C)(C)C	3941.1	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #32	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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[Si](C)(C)C	3895.3	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #32	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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[Si](C)(C)C	4248.4	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #33	C[Si](C)(C)N[C@@H](CC1=C(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](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3946.2	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #33	C[Si](C)(C)N[C@@H](CC1=C(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](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3881.5	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #33	C[Si](C)(C)N[C@@H](CC1=C(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](C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4269.6	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #34	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(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3894.4	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #34	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(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3910.2	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #34	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(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	4273.6	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #35	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(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C	4150.6	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #35	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(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C	3982.4	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #35	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(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C	4400.0	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #4	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3676.9	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #4	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3724.7	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #4	C[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4673.3	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	3667.0	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	3731.2	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4676.3	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=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[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3684.6	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=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[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3688.8	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=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[Si](C)(C)C)C=C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4592.5	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3667.0	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	3712.1	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[O-]	4608.8	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #8	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(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	3786.9	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #8	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(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	3771.5	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #8	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(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(=O)O	4211.6	Standard polar	33892256
Deoxypyridinoline,6TMS,isomer #9	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(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3743.9	Semi standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #9	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(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	3797.1	Standard non polar	33892256
Deoxypyridinoline,6TMS,isomer #9	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(O[Si](C)(C)C)=C1C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[O-]	4219.5	Standard polar	33892256
Deoxypyridinoline,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)[O-]	3884.3	Semi standard non polar	33892256
Deoxypyridinoline,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)[O-])=C1C[C@H](N)C(=O)O	3927.8	Semi standard non polar	33892256
Deoxypyridinoline,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)[O-])=C1	3869.1	Semi standard non polar	33892256
Deoxypyridinoline,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[C@H](N)C(=O)O)C(CC[C@H](N)C(=O)[O-])=C1)C(=O)O	3989.1	Semi standard non polar	33892256
Deoxypyridinoline,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)[O-]	4008.1	Semi standard non polar	33892256
Deoxypyridinoline,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](CCCC[C@H](N)C(=O)O)C=C1CC[C@H](N)C(=O)[O-])C(=O)O	3995.6	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@H](N)C(=O)[O-])C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C	4061.2	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	4057.7	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(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	4056.0	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #12	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(O)=C1C[C@H](N)C(=O)O)C(=O)[O-]	4055.1	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	4170.4	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #14	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)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)[O-]	4187.1	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N([C@@H](CCCC[N+]1=CC(O)=C(C[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	4262.7	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[O-]	4193.7	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N([C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C	4309.2	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N([C@@H](CC1=C(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	4275.0	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)[O-])=C1	3996.5	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(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	4064.7	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	4075.9	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4079.3	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1	4043.8	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	4123.0	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	4140.2	Semi standard non polar	33892256
Deoxypyridinoline,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)[O-])C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C)C(=O)O	4132.9	Semi standard non polar	33892256
Deoxypyridinoline,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-])=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4181.3	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C(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	4395.3	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #11	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)=CC(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4269.9	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(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-]	4379.6	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(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	4423.6	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C	4223.0	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #15	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(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	4231.3	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C(C)(C)C)C(=O)O	4223.0	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #17	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)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	4343.9	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	4331.5	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=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-])=C1C[C@H](N)C(=O)O	4438.1	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(CC[C@H](N)C(=O)[O-])C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4236.1	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[O-]	4347.2	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=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)=C1C[C@H](N)C(=O)O	4489.7	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(CC[C@H](N)C(=O)[O-])=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4453.7	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(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	4239.9	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #24	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(O)=C1C[C@H](N)C(=O)O)C(=O)[O-]	4246.0	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(O)=C(C[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	4382.7	Semi standard non polar	33892256
Deoxypyridinoline,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(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[O-]	4251.7	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[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	4369.4	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[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	4402.1	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #29	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)=CC(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[O-]	4394.1	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4244.6	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(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	4467.4	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	4481.6	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	4516.3	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #33	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(O)=C1C[C@H](N)C(=O)O)C(=O)[O-]	4473.8	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(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	4519.5	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[O-]	4490.6	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	4239.6	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	4158.9	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(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	4159.0	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #7	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(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4163.3	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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	4249.4	Semi standard non polar	33892256
Deoxypyridinoline,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4255.5	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C	4339.8	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C	4196.0	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5357.6	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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[Si](C)(C)C(C)(C)C	4334.1	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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[Si](C)(C)C(C)(C)C	4344.8	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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[Si](C)(C)C(C)(C)C	5029.3	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #11	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(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4353.8	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #11	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(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4312.3	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #11	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(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4921.0	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)[O-]	4504.4	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)[O-]	4328.8	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1CC[C@H](N)C(=O)[O-]	5348.0	Standard polar	33892256
Deoxypyridinoline,4TBDMS,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(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4344.6	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,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(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4327.9	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,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(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4989.3	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)[O-])=C1	4510.0	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)[O-])=C1	4351.4	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC[C@H](N)C(=O)[O-])=C1	5406.3	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	4546.9	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	4287.1	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1	5308.7	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #16	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)=CC(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4479.8	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #16	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)=CC(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4394.9	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #16	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)=CC(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4762.3	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(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[Si](C)(C)C(C)(C)C	4571.1	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(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[Si](C)(C)C(C)(C)C	4406.6	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(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[Si](C)(C)C(C)(C)C	5077.3	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)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	4599.7	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)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	4420.0	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)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	5099.3	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(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[Si](C)(C)C(C)(C)C	4635.0	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(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[Si](C)(C)C(C)(C)C	4375.0	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(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[Si](C)(C)C(C)(C)C	5118.8	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #2	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(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4352.6	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #2	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(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4177.7	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #2	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(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	5333.0	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[O-]	4614.2	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[O-]	4405.1	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[O-]	5131.3	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)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	4639.5	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)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	4353.4	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)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	4979.4	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #22	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(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4588.2	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #22	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(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4370.9	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #22	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(O)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4969.4	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #23	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(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	4421.8	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #23	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(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	4260.1	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #23	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(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	5062.9	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C(C)(C)C)C(=O)O	4413.0	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C(C)(C)C)C(=O)O	4290.4	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C(C)(C)C)C(=O)O	5086.2	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4566.6	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4281.7	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5464.8	Standard polar	33892256
Deoxypyridinoline,4TBDMS,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(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[O-]	4432.8	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,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(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[O-]	4268.1	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,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(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[O-]	5046.1	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1	4610.8	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1	4236.0	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1	5424.2	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4561.1	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	4286.1	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	5427.1	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #29	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)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[O-]	4580.2	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #29	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)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[O-]	4336.7	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #29	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)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[O-]	4833.8	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4340.1	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4208.4	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5406.6	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	4703.4	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	4304.5	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C[C@H](N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5119.3	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #31	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(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	4651.8	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #31	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(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	4321.5	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #31	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(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O)C(=O)[O-]	5109.8	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C(C)(C)C)C(=O)O	4636.8	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C(C)(C)C)C(=O)O	4351.4	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N[C@@H](CC1=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=C1O[Si](C)(C)C(C)(C)C)C(=O)O	5131.2	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	4656.6	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	4356.7	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5132.0	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C)C(=O)O	4709.7	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C)C(=O)O	4316.0	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C)C(=O)O	5173.5	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[O-]	4676.8	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[O-]	4339.4	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[O-]	5164.5	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #36	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(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[O-]	4464.2	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #36	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(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[O-]	4396.2	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #36	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(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[O-]	4746.0	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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[Si](C)(C)C(C)(C)C	4573.8	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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[Si](C)(C)C(C)(C)C	4412.9	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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[Si](C)(C)C(C)(C)C	5070.7	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)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	4576.0	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)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	4414.5	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)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	5090.5	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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[Si](C)(C)C(C)(C)C	4620.0	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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[Si](C)(C)C(C)(C)C	4361.6	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[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[Si](C)(C)C(C)(C)C	5055.2	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4438.4	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4271.7	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	5118.9	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)[O-]	4589.0	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)[O-]	4384.9	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N[C@@H](CCC1=C[N+](CCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(O)=C1C[C@H](N)C(=O)O)C(=O)[O-]	5065.8	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)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	4617.7	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)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	4370.4	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C(O)C=[N+](CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)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	5038.8	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #42	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(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[O-]	4586.1	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #42	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(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[O-]	4393.9	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #42	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(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[O-]	5029.6	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)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	4739.7	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)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	4428.9	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(O)=C(C[C@H](N[Si](C)(C)C(C)(C)C)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	4828.7	Standard polar	33892256
Deoxypyridinoline,4TBDMS,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(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[O-]	4687.9	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,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(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[O-]	4450.4	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,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(O)=C1C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[O-]	4825.4	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #45	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)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[O-]	4706.2	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #45	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)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[O-]	4454.6	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #45	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)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[O-]	4826.3	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N([C@@H](CCCC[N+]1=CC(O)=C(C[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)[Si](C)(C)C(C)(C)C	4776.3	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N([C@@H](CCCC[N+]1=CC(O)=C(C[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)[Si](C)(C)C(C)(C)C	4470.1	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)N([C@@H](CCCC[N+]1=CC(O)=C(C[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)[Si](C)(C)C(C)(C)C	5118.9	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #47	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(O)=C1C[C@H](N)C(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C	4824.4	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #47	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(O)=C1C[C@H](N)C(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C	4425.9	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #47	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(O)=C1C[C@H](N)C(=O)O)C(=O)[O-])[Si](C)(C)C(C)(C)C	5105.2	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N([C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[O-])[Si](C)(C)C(C)(C)C	4842.7	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N([C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[O-])[Si](C)(C)C(C)(C)C	4441.8	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)N([C@@H](CCC1=C[N+](CCCC[C@H](N)C(=O)O)=CC(O)=C1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[O-])[Si](C)(C)C(C)(C)C	5162.4	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	4428.3	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	4289.8	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C(=O)[O-])=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5087.4	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C(CC[C@H](N)C(=O)[O-])C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4588.3	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C(CC[C@H](N)C(=O)[O-])C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4304.0	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C(CC[C@H](N)C(=O)[O-])C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5515.2	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #7	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)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4451.9	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #7	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)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4254.9	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #7	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)=CC(O[Si](C)(C)C(C)(C)C)=C1C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[O-]	4987.2	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C	4629.2	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C	4237.9	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=C(CC[C@@H](C(=O)[O-])N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=[N+](CCCC[C@H](N)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C	5421.3	Standard polar	33892256
Deoxypyridinoline,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=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=C1O[Si](C)(C)C(C)(C)C	4557.5	Semi standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=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=C1O[Si](C)(C)C(C)(C)C	4266.4	Standard non polar	33892256
Deoxypyridinoline,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=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=C1O[Si](C)(C)C(C)(C)C	5373.5	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (Non-derivatized) - 70eV, Positive	splash10-00di-2029000000-bd1b37cf42f6ca53e3fa	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (3 TMS) - 70eV, Positive	splash10-014i-5212591000-a631876ab8a721ce23e2	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Deoxypyridinoline GC-MS (TMS_2_16) - 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 - Deoxypyridinoline 10V, Positive-QTOF	splash10-03di-0001900000-635243e94b1bde7fa2f8	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Deoxypyridinoline 20V, Positive-QTOF	splash10-08ir-0009200000-5b2e6b764362837842fc	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Deoxypyridinoline 40V, Positive-QTOF	splash10-0uyi-2609000000-85238060df1e37341e99	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Deoxypyridinoline 10V, Negative-QTOF	splash10-03di-0000900000-fb17bf7ac61b15c5529b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Deoxypyridinoline 20V, Negative-QTOF	splash10-03di-1000900000-953b3f1eb159e9fd568c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Deoxypyridinoline 40V, Negative-QTOF	splash10-00fr-9321000000-2dd743934a01f1623082	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Deoxypyridinoline 10V, Positive-QTOF	splash10-03xr-0009400000-306c023ce519cc90c386	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Deoxypyridinoline 20V, Positive-QTOF	splash10-001i-5019000000-a5356bd2aed0616a5553	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Deoxypyridinoline 40V, Positive-QTOF	splash10-001i-4091000000-382e57452c8ebe13e257	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Deoxypyridinoline 10V, Negative-QTOF	splash10-03xu-1009400000-ad7e7a69d65e5cce2658	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Deoxypyridinoline 20V, Negative-QTOF	splash10-0300-2009100000-132db17dd2c4331eca76	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Deoxypyridinoline 40V, Negative-QTOF	splash10-0596-2192000000-45a922c56b2c7be849c6	2021-09-25	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

Blood
Urine

Tissue Locations

Kidney
Platelet
Skeletal Muscle

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.0007 +/- 0.00018 uM	Adult (>18 years old)	Both	Normal	7987481	details
Urine	Detected and Quantified	0.005 (0.001 - 0.015) umol/mmol creatinine	Adult (>18 years old)	Not Specified	Normal	17022050	details
Urine	Detected and Quantified	0.0086 (0.0004-0.016) umol/mmol creatinine	Adult (>18 years old)	Both	Normal	9316552	details
Urine	Detected and Quantified	0.0047 +/- 0.0004 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	9453424	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.0006 +/- 0.0001 uM	Adult (>18 years old)	Both	Growth hormone deficiency	9640412	details
Urine	Detected and Quantified	0.015 (0.001 - 0.03) umol/mmol creatinine	Adult (>18 years old)	Not Specified	Multiple myeloma	17022050	details
Urine	Detected and Quantified	0.019 +/- 0.0026 umol/mmol creatinine	Adult (>18 years old)	Both	Congestive heart failure	9316552	details
Urine	Detected and Quantified	0.0066 +/- 0.0006 umol/mmol creatinine	Adult (>18 years old)	Both	Liver fibrosis	9453424	details

Associated Disorders and Diseases

Disease References

Growth hormone deficiency
Rodriguez-Arnao J, James I, Jabbar A, Trainer PJ, Perrett D, Besser GM, Ross RJ: Serum collagen crosslinks as markers of bone turn-over during GH replacement therapy in growth hormone deficient adults. Clin Endocrinol (Oxf). 1998 Apr;48(4):455-62. [PubMed:9640412 ]
Multiple myeloma
Dizdar O, Barista I, Kalyoncu U, Karadag O, Hascelik G, Cila A, Pinar A, Celik I, Kars A, Tekuzman G: Biochemical markers of bone turnover in diagnosis of myeloma bone disease. Am J Hematol. 2007 Mar;82(3):185-91. [PubMed:17022050 ]
Congestive heart failure
Shane E, Mancini D, Aaronson K, Silverberg SJ, Seibel MJ, Addesso V, McMahon DJ: Bone mass, vitamin D deficiency, and hyperparathyroidism in congestive heart failure. Am J Med. 1997 Sep;103(3):197-207. [PubMed:9316552 ]
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

139250 (Growth hormone deficiency)
254500 (Multiple myeloma)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB013750

KNApSAcK ID

Not Available

Chemspider ID

9479456

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Deoxypyridinoline

METLIN ID

5552

PubChem Compound

11304480

PDB ID

Not Available

ChEBI ID

89510

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

MDB00000190

Good Scents ID

Not Available

References

Synthesis Reference

Hatch, Robert P. Method for the synthesis of deoxypyridinoline. U.S. (1998), 7 pp.

Material Safety Data Sheet (MSDS)

Not Available

General References

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Showing metabocard for Deoxypyridinoline (HMDB0000569)

MOL for HMDB0000569 (Deoxypyridinoline)

3D MOL for HMDB0000569 (Deoxypyridinoline)

3D SDF for HMDB0000569 (Deoxypyridinoline)

3D-SDF for HMDB0000569 (Deoxypyridinoline)

PDB for HMDB0000569 (Deoxypyridinoline)

3D PDB for HMDB0000569 (Deoxypyridinoline)

SMILES for HMDB0000569 (Deoxypyridinoline)

INCHI for HMDB0000569 (Deoxypyridinoline)

Structure for HMDB0000569 (Deoxypyridinoline)

3D Structure for HMDB0000569 (Deoxypyridinoline)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra