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Showing metabocard for Pentosidine (HMDB0003933)

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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-08-13 07:27:23 UTC
Update Date2021-09-14 15:37:15 UTC
HMDB IDHMDB0003933
Secondary Accession Numbers
  • HMDB03933
Metabolite Identification
Common NamePentosidine
DescriptionPentosidine is a carbohydrate-derived advanced glycation end products (AGEs) that is considerably elevated in uremic patients. It has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821 ). Derived from ribose, a pentose, pentosidine forms fluorescent cross-links between the arginine and lysine residues in collagen. It is formed in a reaction of the amino acids with the Maillard reaction products of ribose. Although it is present only in trace concentrations among tissue proteins, it is useful for assessing cumulative damage to proteins-advanced glycation endproductsThis compound per se has no biological activities but is highly correlated to the levels of precursors of carbonyl compounds, and for this reason is considered a reliable surrogate marker for AGEs. The modification of proteins in uremia is not limited to AGEs, since advanced lipoxidation end products are also demonstrable in plasma proteins in uremia. The accumulation of these compounds does not seem to be dependent only on the decline of renal function. Carbonyl precursors of AGEs and advanced lipoxidation end products are markedly elevated in uremic patients. Preliminary cross-sectional studies in haemodialysis patients seem to indicate that the AGEs and carbonyl stress may be involved in the pathogenesis of alterations in left ventricular geometry and function in these patients. (PMID 11051031 ). The plasma pentosidine level in diabetic nephropathy was found to be determined by factors such as renal function control of glucose and the patient's age; of these, renal function was the most critical factor. The pathological role of AGEs in diabetic nephropathy, is in the expanded mesangial area of diffuse diabetic glomerulosclerosis, with nodular lesions, characteristic of diabetic nephropathy. These suggests a potential link of AGEs accumulation, which may be determined by renal function, control of glucose and age, to renal tissue damage in diabetic nephropathy. (PMID 9044316 ). The rate of accumulation of glycoxidation products is accelerated in diabetes and age-adjusted concentrations of two advanced glycation end-products (AGE) in tissue proteins, N(6)-carboxymethyllysine and pentosidine, correlate with the severity of complication in diabetic patients. (PMID 9044306 ).
Structure
Data?1582752290
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0003933 (Pentosidine)


  Mrv0541 02231219492D          

 27 28  0  0  1  0            999 V2000
   12.9981   -8.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2835  -10.0975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6558  -16.3661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4182  -17.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1416  -13.3977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9432  -14.2227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6366  -13.5588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6366  -14.8867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4270   -9.6851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8308  -14.9372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4270  -12.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4270  -11.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1416  -12.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7126  -10.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7126  -10.0975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.8560  -13.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1808  -14.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5932  -15.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3556  -14.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8560  -14.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4270  -13.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4182  -15.6517    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1182  -14.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1416  -15.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4270  -14.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9981   -9.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8308  -16.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 26  2  0  0  0  0
  3 27  1  0  0  0  0
  4 27  2  0  0  0  0
  5 13  1  0  0  0  0
  5 16  1  0  0  0  0
  5 21  1  0  0  0  0
  6 19  1  0  0  0  0
  6 23  1  0  0  0  0
  7 16  2  0  0  0  0
  7 23  1  0  0  0  0
  8 20  1  0  0  0  0
  8 23  2  0  0  0  0
 15  9  1  1  0  0  0
 22 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 26  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 22  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 27  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
Download

3D MOL for HMDB0003933 (Pentosidine)

HMDB0003933
     RDKit          3D
Pentosidine
 53 54  0  0  0  0  0  0  0  0999 V2000
   -6.7332   -0.2220    0.5704 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6322   -0.1692    1.4762 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5760    0.8365    1.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9869    0.5404   -0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3380   -0.8193   -0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7295   -1.1580   -1.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7119   -0.2269   -2.0264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0518    0.8565   -2.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1471    1.8026   -3.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1776    1.5935   -2.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776    0.5021   -2.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7245    0.0041   -1.6125 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4943   -1.1371   -0.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4393   -1.9564   -0.2915 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8361   -1.5868   -0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9868   -0.2937    0.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4227    0.1793    0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3163   -0.8165    1.2145 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8882   -1.0475    2.5651 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6856   -0.2530    1.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2618   -0.0605    2.3164 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3751    0.0777    0.0645 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1637   -1.4345   -0.9806 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4430   -0.4492   -1.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1046    0.2351    2.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3087    0.3515    3.7955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4582    0.4868    2.9961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0960    0.6952    0.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6168   -0.9049   -0.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2203   -1.1863    1.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9606    1.8738    1.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7657    0.7634    1.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2417    1.3318   -0.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7446    0.6097   -1.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6470   -0.8979    0.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1482   -1.5814   -0.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3985   -2.2139   -1.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5596   -1.0961   -2.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0955    1.0487   -3.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4657    2.6648   -3.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9263    2.3061   -3.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1676   -2.8307    0.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4824   -2.3957    0.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1262   -1.4944   -1.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4190    0.4943   -0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5926   -0.3307    1.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8528    0.3512   -0.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4306    1.1024    1.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3832   -1.7776    0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2760   -0.2993    2.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5187   -2.0024    2.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5006    0.9924   -0.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8443    1.3031    3.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20 22  1  0
 13 23  1  0
 23 24  2  0
  2 25  1  0
 25 26  2  0
 25 27  1  0
 24  7  1  0
 24 11  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  1
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  5 35  1  0
  5 36  1  0
  6 37  1  0
  6 38  1  0
  8 39  1  0
  9 40  1  0
 10 41  1  0
 14 42  1  0
 15 43  1  0
 15 44  1  0
 16 45  1  0
 16 46  1  0
 17 47  1  0
 17 48  1  0
 18 49  1  6
 19 50  1  0
 19 51  1  0
 22 52  1  0
 27 53  1  0
M  END
Download

3D SDF for HMDB0003933 (Pentosidine)


  Mrv0541 02231219492D          

 27 28  0  0  1  0            999 V2000
   12.9981   -8.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2835  -10.0975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6558  -16.3661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4182  -17.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1416  -13.3977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9432  -14.2227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6366  -13.5588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6366  -14.8867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4270   -9.6851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8308  -14.9372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4270  -12.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4270  -11.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1416  -12.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7126  -10.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7126  -10.0975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.8560  -13.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1808  -14.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5932  -15.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3556  -14.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8560  -14.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4270  -13.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4182  -15.6517    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1182  -14.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1416  -15.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4270  -14.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9981   -9.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8308  -16.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 26  2  0  0  0  0
  3 27  1  0  0  0  0
  4 27  2  0  0  0  0
  5 13  1  0  0  0  0
  5 16  1  0  0  0  0
  5 21  1  0  0  0  0
  6 19  1  0  0  0  0
  6 23  1  0  0  0  0
  7 16  2  0  0  0  0
  7 23  1  0  0  0  0
  8 20  1  0  0  0  0
  8 23  2  0  0  0  0
 15  9  1  1  0  0  0
 22 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 26  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 22  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 27  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0003933

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(O)=O)N=C12)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C17H26N6O4/c18-11(15(24)25)5-1-2-9-23-10-4-7-13-14(23)22-17(21-13)20-8-3-6-12(19)16(26)27/h4,7,10-12H,1-3,5-6,8-9,18-19H2,(H,20,21)(H,24,25)(H,26,27)/t11-,12-/m0/s1

> <INCHI_KEY>
AYEKKSTZQYEZPU-RYUDHWBXSA-N

> <FORMULA>
C17H26N6O4

> <MOLECULAR_WEIGHT>
378.4261

> <EXACT_MASS>
378.20155335

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
40.55146947400722

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-6-(2-{[(4S)-4-amino-4-carboxybutyl]amino}-4H-imidazo[4,5-b]pyridin-4-yl)hexanoic acid

> <ALOGPS_LOGP>
-3.73

> <JCHEM_LOGP>
-3.862982379189857

> <ALOGPS_LOGS>
-3.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
2.1377154133781193

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5142640987546563

> <JCHEM_PKA_STRONGEST_BASIC>
9.82684597524779

> <JCHEM_POLAR_SURFACE_AREA>
169.38000000000002

> <JCHEM_REFRACTIVITY>
99.6063

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.73e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pentosidine

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0003933 (Pentosidine)

HMDB0003933
     RDKit          3D
Pentosidine
 53 54  0  0  0  0  0  0  0  0999 V2000
   -6.7332   -0.2220    0.5704 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6322   -0.1692    1.4762 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5760    0.8365    1.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9869    0.5404   -0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3380   -0.8193   -0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7295   -1.1580   -1.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7119   -0.2269   -2.0264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0518    0.8565   -2.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1471    1.8026   -3.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1776    1.5935   -2.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776    0.5021   -2.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7245    0.0041   -1.6125 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4943   -1.1371   -0.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4393   -1.9564   -0.2915 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8361   -1.5868   -0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9868   -0.2937    0.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4227    0.1793    0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3163   -0.8165    1.2145 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8882   -1.0475    2.5651 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6856   -0.2530    1.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2618   -0.0605    2.3164 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3751    0.0777    0.0645 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1637   -1.4345   -0.9806 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4430   -0.4492   -1.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1046    0.2351    2.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3087    0.3515    3.7955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4582    0.4868    2.9961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0960    0.6952    0.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6168   -0.9049   -0.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2203   -1.1863    1.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9606    1.8738    1.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7657    0.7634    1.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2417    1.3318   -0.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7446    0.6097   -1.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6470   -0.8979    0.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1482   -1.5814   -0.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3985   -2.2139   -1.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5596   -1.0961   -2.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0955    1.0487   -3.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4657    2.6648   -3.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9263    2.3061   -3.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1676   -2.8307    0.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4824   -2.3957    0.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1262   -1.4944   -1.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4190    0.4943   -0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5926   -0.3307    1.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8528    0.3512   -0.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4306    1.1024    1.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3832   -1.7776    0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2760   -0.2993    2.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5187   -2.0024    2.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5006    0.9924   -0.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8443    1.3031    3.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20 22  1  0
 13 23  1  0
 23 24  2  0
  2 25  1  0
 25 26  2  0
 25 27  1  0
 24  7  1  0
 24 11  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  1
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  5 35  1  0
  5 36  1  0
  6 37  1  0
  6 38  1  0
  8 39  1  0
  9 40  1  0
 10 41  1  0
 14 42  1  0
 15 43  1  0
 15 44  1  0
 16 45  1  0
 16 46  1  0
 17 47  1  0
 17 48  1  0
 18 49  1  6
 19 50  1  0
 19 51  1  0
 22 52  1  0
 27 53  1  0
M  END
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PDB for HMDB0003933 (Pentosidine)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      24.263 -16.539   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      22.929 -18.849   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      40.424 -30.550   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      38.114 -31.884   0.000  0.00  0.00           O+0
HETATM    5  N   UNK     0      28.264 -25.009   0.000  0.00  0.00           N+0
HETATM    6  N   UNK     0      33.494 -26.549   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0      31.055 -25.310   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      31.055 -27.789   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      26.930 -18.079   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0      38.884 -27.883   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      26.930 -22.699   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      26.930 -21.159   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      28.264 -23.469   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      25.597 -20.389   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      25.597 -18.849   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      29.598 -25.779   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      35.804 -27.883   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      36.574 -29.217   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      34.264 -27.883   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      29.598 -27.319   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      26.930 -25.779   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      38.114 -29.217   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      31.954 -26.549   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      28.264 -28.089   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      26.930 -27.319   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      24.263 -18.079   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      38.884 -30.550   0.000  0.00  0.00           C+0
CONECT    1   26                                                            
CONECT    2   26                                                            
CONECT    3   27                                                            
CONECT    4   27                                                            
CONECT    5   13   16   21                                                  
CONECT    6   19   23                                                       
CONECT    7   16   23                                                       
CONECT    8   20   23                                                       
CONECT    9   15                                                            
CONECT   10   22                                                            
CONECT   11   12   13                                                       
CONECT   12   11   14                                                       
CONECT   13    5   11                                                       
CONECT   14   12   15                                                       
CONECT   15    9   14   26                                                  
CONECT   16    5    7   20                                                  
CONECT   17   18   19                                                       
CONECT   18   17   22                                                       
CONECT   19    6   17                                                       
CONECT   20    8   16   24                                                  
CONECT   21    5   25                                                       
CONECT   22   10   18   27                                                  
CONECT   23    6    7    8                                                  
CONECT   24   20   25                                                       
CONECT   25   21   24                                                       
CONECT   26    1    2   15                                                  
CONECT   27    3    4   22                                                  
MASTER        0    0    0    0    0    0    0    0   27    0   56    0
END
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3D PDB for HMDB0003933 (Pentosidine)

COMPND    HMDB0003933
HETATM    1  N1  UNL     1      -6.733  -0.222   0.570  1.00  0.00           N  
HETATM    2  C1  UNL     1      -5.632  -0.169   1.476  1.00  0.00           C  
HETATM    3  C2  UNL     1      -4.576   0.837   1.068  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.987   0.540  -0.278  1.00  0.00           C  
HETATM    5  C4  UNL     1      -3.338  -0.819  -0.277  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.729  -1.158  -1.619  1.00  0.00           C  
HETATM    7  N2  UNL     1      -1.712  -0.227  -2.026  1.00  0.00           N  
HETATM    8  C6  UNL     1      -2.052   0.856  -2.747  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.147   1.803  -3.183  1.00  0.00           C  
HETATM   10  C8  UNL     1       0.178   1.593  -2.840  1.00  0.00           C  
HETATM   11  C9  UNL     1       0.578   0.502  -2.104  1.00  0.00           C  
HETATM   12  N3  UNL     1       1.724   0.004  -1.613  1.00  0.00           N  
HETATM   13  C10 UNL     1       1.494  -1.137  -0.948  1.00  0.00           C  
HETATM   14  N4  UNL     1       2.439  -1.956  -0.292  1.00  0.00           N  
HETATM   15  C11 UNL     1       3.836  -1.587  -0.287  1.00  0.00           C  
HETATM   16  C12 UNL     1       3.987  -0.294   0.445  1.00  0.00           C  
HETATM   17  C13 UNL     1       5.423   0.179   0.510  1.00  0.00           C  
HETATM   18  C14 UNL     1       6.316  -0.817   1.215  1.00  0.00           C  
HETATM   19  N5  UNL     1       5.888  -1.047   2.565  1.00  0.00           N  
HETATM   20  C15 UNL     1       7.686  -0.253   1.218  1.00  0.00           C  
HETATM   21  O1  UNL     1       8.262  -0.060   2.316  1.00  0.00           O  
HETATM   22  O2  UNL     1       8.375   0.078   0.064  1.00  0.00           O  
HETATM   23  N6  UNL     1       0.164  -1.434  -0.981  1.00  0.00           N  
HETATM   24  C16 UNL     1      -0.443  -0.449  -1.684  1.00  0.00           C  
HETATM   25  C17 UNL     1      -6.105   0.235   2.823  1.00  0.00           C  
HETATM   26  O3  UNL     1      -5.309   0.351   3.796  1.00  0.00           O  
HETATM   27  O4  UNL     1      -7.458   0.487   2.996  1.00  0.00           O  
HETATM   28  H1  UNL     1      -7.096   0.695   0.263  1.00  0.00           H  
HETATM   29  H2  UNL     1      -6.617  -0.905  -0.210  1.00  0.00           H  
HETATM   30  H3  UNL     1      -5.220  -1.186   1.577  1.00  0.00           H  
HETATM   31  H4  UNL     1      -4.961   1.874   1.129  1.00  0.00           H  
HETATM   32  H5  UNL     1      -3.766   0.763   1.822  1.00  0.00           H  
HETATM   33  H6  UNL     1      -3.242   1.332  -0.501  1.00  0.00           H  
HETATM   34  H7  UNL     1      -4.745   0.610  -1.097  1.00  0.00           H  
HETATM   35  H8  UNL     1      -2.647  -0.898   0.560  1.00  0.00           H  
HETATM   36  H9  UNL     1      -4.148  -1.581  -0.111  1.00  0.00           H  
HETATM   37  H10 UNL     1      -2.398  -2.214  -1.621  1.00  0.00           H  
HETATM   38  H11 UNL     1      -3.560  -1.096  -2.368  1.00  0.00           H  
HETATM   39  H12 UNL     1      -3.095   1.049  -3.034  1.00  0.00           H  
HETATM   40  H13 UNL     1      -1.466   2.665  -3.764  1.00  0.00           H  
HETATM   41  H14 UNL     1       0.926   2.306  -3.157  1.00  0.00           H  
HETATM   42  H15 UNL     1       2.168  -2.831   0.198  1.00  0.00           H  
HETATM   43  H16 UNL     1       4.482  -2.396   0.112  1.00  0.00           H  
HETATM   44  H17 UNL     1       4.126  -1.494  -1.365  1.00  0.00           H  
HETATM   45  H18 UNL     1       3.419   0.494  -0.073  1.00  0.00           H  
HETATM   46  H19 UNL     1       3.593  -0.331   1.478  1.00  0.00           H  
HETATM   47  H20 UNL     1       5.853   0.351  -0.489  1.00  0.00           H  
HETATM   48  H21 UNL     1       5.431   1.102   1.126  1.00  0.00           H  
HETATM   49  H22 UNL     1       6.383  -1.778   0.626  1.00  0.00           H  
HETATM   50  H23 UNL     1       5.276  -0.299   2.945  1.00  0.00           H  
HETATM   51  H24 UNL     1       5.519  -2.002   2.650  1.00  0.00           H  
HETATM   52  H25 UNL     1       8.501   0.992  -0.297  1.00  0.00           H  
HETATM   53  H26 UNL     1      -7.844   1.303   3.415  1.00  0.00           H  
CONECT    1    2   28   29
CONECT    2    3   25   30
CONECT    3    4   31   32
CONECT    4    5   33   34
CONECT    5    6   35   36
CONECT    6    7   37   38
CONECT    7    8   24
CONECT    8    9    9   39
CONECT    9   10   40
CONECT   10   11   11   41
CONECT   11   12   24
CONECT   12   13   13
CONECT   13   14   23
CONECT   14   15   42
CONECT   15   16   43   44
CONECT   16   17   45   46
CONECT   17   18   47   48
CONECT   18   19   20   49
CONECT   19   50   51
CONECT   20   21   21   22
CONECT   22   52
CONECT   23   24   24
CONECT   25   26   26   27
CONECT   27   53
END
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SMILES for HMDB0003933 (Pentosidine)

N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(O)=O)N=C12)C(O)=O
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INCHI for HMDB0003933 (Pentosidine)

InChI=1S/C17H26N6O4/c18-11(15(24)25)5-1-2-9-23-10-4-7-13-14(23)22-17(21-13)20-8-3-6-12(19)16(26)27/h4,7,10-12H,1-3,5-6,8-9,18-19H2,(H,20,21)(H,24,25)(H,26,27)/t11-,12-/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
SynonymsNot Available
Chemical FormulaC17H26N6O4
Average Molecular Weight378.4261
Monoisotopic Molecular Weight378.20155335
IUPAC Name(2S)-2-amino-6-(2-{[(4S)-4-amino-4-carboxybutyl]amino}-4H-imidazo[4,5-b]pyridin-4-yl)hexanoic acid
Traditional Namepentosidine
CAS Registry Number124505-87-9
SMILES
N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(O)=O)N=C12)C(O)=O
InChI Identifier
InChI=1S/C17H26N6O4/c18-11(15(24)25)5-1-2-9-23-10-4-7-13-14(23)22-17(21-13)20-8-3-6-12(19)16(26)27/h4,7,10-12H,1-3,5-6,8-9,18-19H2,(H,20,21)(H,24,25)(H,26,27)/t11-,12-/m0/s1
InChI KeyAYEKKSTZQYEZPU-RYUDHWBXSA-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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentL-alpha-amino acids
Alternative Parents
Substituents
  • L-alpha-amino acid
  • Imidazopyridine
  • Medium-chain fatty acid
  • Amino fatty acid
  • Heterocyclic fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty acyl
  • Fatty acid
  • Pyridine
  • Azole
  • Heteroaromatic compound
  • Imidazole
  • Amino acid
  • Carboxylic acid
  • Azacycle
  • Organoheterocyclic compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Amine
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Organooxygen compound
  • Primary amine
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effect
Health effect
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Industrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.17 g/LALOGPS
logP-3.7ALOGPS
logP-3.9ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)1.51ChemAxon
pKa (Strongest Basic)9.83ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area169.38 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity99.61 m³·mol⁻¹ChemAxon
Polarizability40.55 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+188.70831661259
DarkChem[M-H]-187.03731661259
DeepCCS[M-2H]-221.16130932474
DeepCCS[M+Na]+197.45130932474
AllCCS[M+H]+185.232859911
AllCCS[M+H-H2O]+182.932859911
AllCCS[M+NH4]+187.332859911
AllCCS[M+Na]+187.832859911
AllCCS[M-H]-189.032859911
AllCCS[M+Na-2H]-189.432859911
AllCCS[M+HCOO]-189.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
PentosidineN[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(O)=O)N=C12)C(O)=O4665.8Standard polar33892256
PentosidineN[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(O)=O)N=C12)C(O)=O3490.6Standard non polar33892256
PentosidineN[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(O)=O)N=C12)C(O)=O3742.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Pentosidine,1TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N13689.8Semi standard non polar33892256
Pentosidine,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O)N=C213701.2Semi standard non polar33892256
Pentosidine,1TMS,isomer #3C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O)N=C21)C(=O)O3881.7Semi standard non polar33892256
Pentosidine,1TMS,isomer #4C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)C(=O)O3884.5Semi standard non polar33892256
Pentosidine,1TMS,isomer #5C[Si](C)(C)N(CCC[C@H](N)C(=O)O)C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N13718.4Semi standard non polar33892256
Pentosidine,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N=C213508.5Semi standard non polar33892256
Pentosidine,2TMS,isomer #10C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N=C21)C(=O)O3704.0Semi standard non polar33892256
Pentosidine,2TMS,isomer #11C[Si](C)(C)N([C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)C(=O)O)[Si](C)(C)C3840.6Semi standard non polar33892256
Pentosidine,2TMS,isomer #12C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)[Si](C)(C)C)C(=O)O3701.0Semi standard non polar33892256
Pentosidine,2TMS,isomer #2C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)C(=O)O[Si](C)(C)C3657.7Semi standard non polar33892256
Pentosidine,2TMS,isomer #3C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N=C21)C(=O)O3644.8Semi standard non polar33892256
Pentosidine,2TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)[Si](C)(C)C3549.3Semi standard non polar33892256
Pentosidine,2TMS,isomer #5C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O)N=C21)C(=O)O[Si](C)(C)C3661.1Semi standard non polar33892256
Pentosidine,2TMS,isomer #6C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)C2=N1)C(=O)O3647.9Semi standard non polar33892256
Pentosidine,2TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N=C213552.5Semi standard non polar33892256
Pentosidine,2TMS,isomer #8C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O)N=C21)C(=O)O3797.8Semi standard non polar33892256
Pentosidine,2TMS,isomer #9C[Si](C)(C)N([C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O)N=C21)C(=O)O)[Si](C)(C)C3847.9Semi standard non polar33892256
Pentosidine,3TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3521.8Semi standard non polar33892256
Pentosidine,3TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3349.0Standard non polar33892256
Pentosidine,3TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C5406.0Standard polar33892256
Pentosidine,3TMS,isomer #10C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O)N=C21)N([Si](C)(C)C)[Si](C)(C)C3699.5Semi standard non polar33892256
Pentosidine,3TMS,isomer #10C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O)N=C21)N([Si](C)(C)C)[Si](C)(C)C3434.7Standard non polar33892256
Pentosidine,3TMS,isomer #10C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O)N=C21)N([Si](C)(C)C)[Si](C)(C)C5658.0Standard polar33892256
Pentosidine,3TMS,isomer #11C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3533.7Semi standard non polar33892256
Pentosidine,3TMS,isomer #11C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3384.4Standard non polar33892256
Pentosidine,3TMS,isomer #11C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C5482.7Standard polar33892256
Pentosidine,3TMS,isomer #12C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N=C213674.4Semi standard non polar33892256
Pentosidine,3TMS,isomer #12C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N=C213475.0Standard non polar33892256
Pentosidine,3TMS,isomer #12C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N=C215501.8Standard polar33892256
Pentosidine,3TMS,isomer #13C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O3536.8Semi standard non polar33892256
Pentosidine,3TMS,isomer #13C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O3395.1Standard non polar33892256
Pentosidine,3TMS,isomer #13C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O5383.4Standard polar33892256
Pentosidine,3TMS,isomer #14C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)C(=O)O3769.7Semi standard non polar33892256
Pentosidine,3TMS,isomer #14C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)C(=O)O3499.9Standard non polar33892256
Pentosidine,3TMS,isomer #14C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)C(=O)O5279.8Standard polar33892256
Pentosidine,3TMS,isomer #15C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=C21)C(=O)O3657.6Semi standard non polar33892256
Pentosidine,3TMS,isomer #15C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=C21)C(=O)O3462.6Standard non polar33892256
Pentosidine,3TMS,isomer #15C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N=C21)C(=O)O5199.2Standard polar33892256
Pentosidine,3TMS,isomer #16C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O3769.3Semi standard non polar33892256
Pentosidine,3TMS,isomer #16C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O3504.7Standard non polar33892256
Pentosidine,3TMS,isomer #16C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O5272.8Standard polar33892256
Pentosidine,3TMS,isomer #17C[Si](C)(C)N(CCC[C@H](N)C(=O)O)C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N13727.1Semi standard non polar33892256
Pentosidine,3TMS,isomer #17C[Si](C)(C)N(CCC[C@H](N)C(=O)O)C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N13512.1Standard non polar33892256
Pentosidine,3TMS,isomer #17C[Si](C)(C)N(CCC[C@H](N)C(=O)O)C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N15601.0Standard polar33892256
Pentosidine,3TMS,isomer #18C[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N13737.2Semi standard non polar33892256
Pentosidine,3TMS,isomer #18C[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N13513.4Standard non polar33892256
Pentosidine,3TMS,isomer #18C[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N15612.2Standard polar33892256
Pentosidine,3TMS,isomer #2C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)C2=N1)C(=O)O[Si](C)(C)C3529.8Semi standard non polar33892256
Pentosidine,3TMS,isomer #2C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)C2=N1)C(=O)O[Si](C)(C)C3346.4Standard non polar33892256
Pentosidine,3TMS,isomer #2C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)C2=N1)C(=O)O[Si](C)(C)C5412.0Standard polar33892256
Pentosidine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=C213432.1Semi standard non polar33892256
Pentosidine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=C213329.7Standard non polar33892256
Pentosidine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=C215761.6Standard polar33892256
Pentosidine,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=C21)C(=O)O3629.0Semi standard non polar33892256
Pentosidine,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=C21)C(=O)O3408.0Standard non polar33892256
Pentosidine,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=C21)C(=O)O5183.5Standard polar33892256
Pentosidine,3TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)N([Si](C)(C)C)[Si](C)(C)C3703.4Semi standard non polar33892256
Pentosidine,3TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)N([Si](C)(C)C)[Si](C)(C)C3431.3Standard non polar33892256
Pentosidine,3TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)N([Si](C)(C)C)[Si](C)(C)C5662.7Standard polar33892256
Pentosidine,3TMS,isomer #6C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)[Si](C)(C)C)C(=O)O[Si](C)(C)C3535.6Semi standard non polar33892256
Pentosidine,3TMS,isomer #6C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)[Si](C)(C)C)C(=O)O[Si](C)(C)C3380.6Standard non polar33892256
Pentosidine,3TMS,isomer #6C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)[Si](C)(C)C)C(=O)O[Si](C)(C)C5500.4Standard polar33892256
Pentosidine,3TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H](N)CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N13674.0Semi standard non polar33892256
Pentosidine,3TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H](N)CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N13468.0Standard non polar33892256
Pentosidine,3TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H](N)CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N15506.1Standard polar33892256
Pentosidine,3TMS,isomer #8C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O3539.6Semi standard non polar33892256
Pentosidine,3TMS,isomer #8C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O3397.9Standard non polar33892256
Pentosidine,3TMS,isomer #8C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O5366.1Standard polar33892256
Pentosidine,3TMS,isomer #9C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C2=N1)C(=O)O3627.1Semi standard non polar33892256
Pentosidine,3TMS,isomer #9C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C2=N1)C(=O)O3404.9Standard non polar33892256
Pentosidine,3TMS,isomer #9C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C2=N1)C(=O)O5185.2Standard polar33892256
Pentosidine,4TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3541.7Semi standard non polar33892256
Pentosidine,4TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3403.7Standard non polar33892256
Pentosidine,4TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C4690.4Standard polar33892256
Pentosidine,4TMS,isomer #10C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C3610.0Semi standard non polar33892256
Pentosidine,4TMS,isomer #10C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C3498.5Standard non polar33892256
Pentosidine,4TMS,isomer #10C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C5096.4Standard polar33892256
Pentosidine,4TMS,isomer #11C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3665.1Semi standard non polar33892256
Pentosidine,4TMS,isomer #11C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3507.4Standard non polar33892256
Pentosidine,4TMS,isomer #11C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C4808.4Standard polar33892256
Pentosidine,4TMS,isomer #12C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O3540.0Semi standard non polar33892256
Pentosidine,4TMS,isomer #12C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O3432.3Standard non polar33892256
Pentosidine,4TMS,isomer #12C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O4728.9Standard polar33892256
Pentosidine,4TMS,isomer #13C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)C(=O)O3688.7Semi standard non polar33892256
Pentosidine,4TMS,isomer #13C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)C(=O)O3489.0Standard non polar33892256
Pentosidine,4TMS,isomer #13C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)C(=O)O4853.7Standard polar33892256
Pentosidine,4TMS,isomer #14C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N=C21)N([Si](C)(C)C)[Si](C)(C)C3648.0Semi standard non polar33892256
Pentosidine,4TMS,isomer #14C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N=C21)N([Si](C)(C)C)[Si](C)(C)C3489.8Standard non polar33892256
Pentosidine,4TMS,isomer #14C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C)N=C21)N([Si](C)(C)C)[Si](C)(C)C5240.2Standard polar33892256
Pentosidine,4TMS,isomer #15C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C213628.3Semi standard non polar33892256
Pentosidine,4TMS,isomer #15C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C213502.3Standard non polar33892256
Pentosidine,4TMS,isomer #15C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C215099.1Standard polar33892256
Pentosidine,4TMS,isomer #16C[Si](C)(C)N([C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O)[Si](C)(C)C3802.3Semi standard non polar33892256
Pentosidine,4TMS,isomer #16C[Si](C)(C)N([C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O)[Si](C)(C)C3608.8Standard non polar33892256
Pentosidine,4TMS,isomer #16C[Si](C)(C)N([C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O)[Si](C)(C)C4931.1Standard polar33892256
Pentosidine,4TMS,isomer #17C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O3690.4Semi standard non polar33892256
Pentosidine,4TMS,isomer #17C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O3546.7Standard non polar33892256
Pentosidine,4TMS,isomer #17C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O4853.1Standard polar33892256
Pentosidine,4TMS,isomer #18C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O3707.8Semi standard non polar33892256
Pentosidine,4TMS,isomer #18C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O3551.4Standard non polar33892256
Pentosidine,4TMS,isomer #18C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O4844.1Standard polar33892256
Pentosidine,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](N)CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N13613.5Semi standard non polar33892256
Pentosidine,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](N)CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N13436.0Standard non polar33892256
Pentosidine,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](N)CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N15188.4Standard polar33892256
Pentosidine,4TMS,isomer #3C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3457.4Semi standard non polar33892256
Pentosidine,4TMS,isomer #3C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3372.0Standard non polar33892256
Pentosidine,4TMS,isomer #3C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C5025.6Standard polar33892256
Pentosidine,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C213618.9Semi standard non polar33892256
Pentosidine,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C213443.2Standard non polar33892256
Pentosidine,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C215185.0Standard polar33892256
Pentosidine,4TMS,isomer #5C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O[Si](C)(C)C3458.7Semi standard non polar33892256
Pentosidine,4TMS,isomer #5C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O[Si](C)(C)C3368.9Standard non polar33892256
Pentosidine,4TMS,isomer #5C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O[Si](C)(C)C5038.8Standard polar33892256
Pentosidine,4TMS,isomer #6C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)C(=O)O[Si](C)(C)C3668.0Semi standard non polar33892256
Pentosidine,4TMS,isomer #6C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)C(=O)O[Si](C)(C)C3501.5Standard non polar33892256
Pentosidine,4TMS,isomer #6C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)C(=O)O[Si](C)(C)C4821.9Standard polar33892256
Pentosidine,4TMS,isomer #7C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O3542.8Semi standard non polar33892256
Pentosidine,4TMS,isomer #7C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O3434.7Standard non polar33892256
Pentosidine,4TMS,isomer #7C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O4718.5Standard polar33892256
Pentosidine,4TMS,isomer #8C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O3690.2Semi standard non polar33892256
Pentosidine,4TMS,isomer #8C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O3492.7Standard non polar33892256
Pentosidine,4TMS,isomer #8C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O4851.1Standard polar33892256
Pentosidine,4TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3668.7Semi standard non polar33892256
Pentosidine,4TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3488.8Standard non polar33892256
Pentosidine,4TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C5253.0Standard polar33892256
Pentosidine,5TMS,isomer #1C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)C(=O)O[Si](C)(C)C3642.9Semi standard non polar33892256
Pentosidine,5TMS,isomer #1C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)C(=O)O[Si](C)(C)C3478.0Standard non polar33892256
Pentosidine,5TMS,isomer #1C[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)C(=O)O[Si](C)(C)C4442.4Standard polar33892256
Pentosidine,5TMS,isomer #10C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3653.7Semi standard non polar33892256
Pentosidine,5TMS,isomer #10C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3535.2Standard non polar33892256
Pentosidine,5TMS,isomer #10C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C4436.0Standard polar33892256
Pentosidine,5TMS,isomer #11C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O3663.8Semi standard non polar33892256
Pentosidine,5TMS,isomer #11C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O3518.2Standard non polar33892256
Pentosidine,5TMS,isomer #11C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O4477.5Standard polar33892256
Pentosidine,5TMS,isomer #12C[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N13810.9Semi standard non polar33892256
Pentosidine,5TMS,isomer #12C[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N13649.2Standard non polar33892256
Pentosidine,5TMS,isomer #12C[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N14586.0Standard polar33892256
Pentosidine,5TMS,isomer #2C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3486.9Semi standard non polar33892256
Pentosidine,5TMS,isomer #2C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3422.2Standard non polar33892256
Pentosidine,5TMS,isomer #2C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C4298.1Standard polar33892256
Pentosidine,5TMS,isomer #3C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3637.0Semi standard non polar33892256
Pentosidine,5TMS,isomer #3C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3484.3Standard non polar33892256
Pentosidine,5TMS,isomer #3C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C4430.6Standard polar33892256
Pentosidine,5TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C3607.6Semi standard non polar33892256
Pentosidine,5TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C3459.3Standard non polar33892256
Pentosidine,5TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H](N)CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C4842.1Standard polar33892256
Pentosidine,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C213620.2Semi standard non polar33892256
Pentosidine,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C213465.6Standard non polar33892256
Pentosidine,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C214842.1Standard polar33892256
Pentosidine,5TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)N([Si](C)(C)C)[Si](C)(C)C3787.1Semi standard non polar33892256
Pentosidine,5TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)N([Si](C)(C)C)[Si](C)(C)C3588.5Standard non polar33892256
Pentosidine,5TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)N([Si](C)(C)C)[Si](C)(C)C4567.3Standard polar33892256
Pentosidine,5TMS,isomer #7C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O[Si](C)(C)C3640.6Semi standard non polar33892256
Pentosidine,5TMS,isomer #7C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O[Si](C)(C)C3529.0Standard non polar33892256
Pentosidine,5TMS,isomer #7C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O[Si](C)(C)C4444.9Standard polar33892256
Pentosidine,5TMS,isomer #8C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O3677.1Semi standard non polar33892256
Pentosidine,5TMS,isomer #8C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O3523.6Standard non polar33892256
Pentosidine,5TMS,isomer #8C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O4467.7Standard polar33892256
Pentosidine,5TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N=C21)N([Si](C)(C)C)[Si](C)(C)C3789.2Semi standard non polar33892256
Pentosidine,5TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N=C21)N([Si](C)(C)C)[Si](C)(C)C3593.2Standard non polar33892256
Pentosidine,5TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N=C21)N([Si](C)(C)C)[Si](C)(C)C4554.1Standard polar33892256
Pentosidine,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C21)N([Si](C)(C)C)[Si](C)(C)C3792.1Semi standard non polar33892256
Pentosidine,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C21)N([Si](C)(C)C)[Si](C)(C)C3569.6Standard non polar33892256
Pentosidine,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C21)N([Si](C)(C)C)[Si](C)(C)C4232.8Standard polar33892256
Pentosidine,6TMS,isomer #2C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O[Si](C)(C)C3647.3Semi standard non polar33892256
Pentosidine,6TMS,isomer #2C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O[Si](C)(C)C3492.9Standard non polar33892256
Pentosidine,6TMS,isomer #2C[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C)C(=O)O[Si](C)(C)C4116.9Standard polar33892256
Pentosidine,6TMS,isomer #3C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3654.4Semi standard non polar33892256
Pentosidine,6TMS,isomer #3C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C3502.7Standard non polar33892256
Pentosidine,6TMS,isomer #3C[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)C(=O)O[Si](C)(C)C4104.8Standard polar33892256
Pentosidine,6TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3812.1Semi standard non polar33892256
Pentosidine,6TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3609.9Standard non polar33892256
Pentosidine,6TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C2=N1)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4249.4Standard polar33892256
Pentosidine,6TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)N([Si](C)(C)C)[Si](C)(C)C3814.7Semi standard non polar33892256
Pentosidine,6TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)N([Si](C)(C)C)[Si](C)(C)C3614.3Standard non polar33892256
Pentosidine,6TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)N([Si](C)(C)C)[Si](C)(C)C4238.5Standard polar33892256
Pentosidine,7TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)N([Si](C)(C)C)[Si](C)(C)C3826.6Semi standard non polar33892256
Pentosidine,7TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)N([Si](C)(C)C)[Si](C)(C)C3581.6Standard non polar33892256
Pentosidine,7TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C21)N([Si](C)(C)C)[Si](C)(C)C3955.7Standard polar33892256
Pentosidine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N13969.7Semi standard non polar33892256
Pentosidine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O)N=C213977.7Semi standard non polar33892256
Pentosidine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O)N=C21)C(=O)O4107.7Semi standard non polar33892256
Pentosidine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)C(=O)O4111.8Semi standard non polar33892256
Pentosidine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCC[C@H](N)C(=O)O)C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N13958.1Semi standard non polar33892256
Pentosidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N=C214005.2Semi standard non polar33892256
Pentosidine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O4144.8Semi standard non polar33892256
Pentosidine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N([C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)C(=O)O)[Si](C)(C)C(C)(C)C4297.6Semi standard non polar33892256
Pentosidine,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)[Si](C)(C)C(C)(C)C)C(=O)O4141.5Semi standard non polar33892256
Pentosidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)C(=O)O[Si](C)(C)C(C)(C)C4130.5Semi standard non polar33892256
Pentosidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N=C21)C(=O)O4131.8Semi standard non polar33892256
Pentosidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)[Si](C)(C)C(C)(C)C4026.9Semi standard non polar33892256
Pentosidine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O)N=C21)C(=O)O[Si](C)(C)C(C)(C)C4131.9Semi standard non polar33892256
Pentosidine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C2=N1)C(=O)O4129.5Semi standard non polar33892256
Pentosidine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N=C214028.8Semi standard non polar33892256
Pentosidine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N=C21)C(=O)O4249.2Semi standard non polar33892256
Pentosidine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N([C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O)N=C21)C(=O)O)[Si](C)(C)C(C)(C)C4293.1Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N=C21)C(=O)O[Si](C)(C)C(C)(C)C4132.5Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N=C21)C(=O)O[Si](C)(C)C(C)(C)C3886.7Standard non polar33892256
Pentosidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N=C21)C(=O)O[Si](C)(C)C(C)(C)C5247.6Standard polar33892256
Pentosidine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O)N=C21)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4331.1Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O)N=C21)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3956.5Standard non polar33892256
Pentosidine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(=O)O)N=C21)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5401.7Standard polar33892256
Pentosidine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O[Si](C)(C)C(C)(C)C4164.7Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O[Si](C)(C)C(C)(C)C3926.8Standard non polar33892256
Pentosidine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O[Si](C)(C)C(C)(C)C5281.1Standard polar33892256
Pentosidine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C214324.7Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C213969.7Standard non polar33892256
Pentosidine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C215286.3Standard polar33892256
Pentosidine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C2=N1)[Si](C)(C)C(C)(C)C)C(=O)O4163.9Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C2=N1)[Si](C)(C)C(C)(C)C)C(=O)O3934.0Standard non polar33892256
Pentosidine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C2=N1)[Si](C)(C)C(C)(C)C)C(=O)O5211.0Standard polar33892256
Pentosidine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N1)C(=O)O4429.7Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N1)C(=O)O4001.6Standard non polar33892256
Pentosidine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N1)C(=O)O5113.3Standard polar33892256
Pentosidine,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O4274.7Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O3982.9Standard non polar33892256
Pentosidine,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O5037.2Standard polar33892256
Pentosidine,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O4451.7Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O4005.0Standard non polar33892256
Pentosidine,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O5106.3Standard polar33892256
Pentosidine,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)N(CCC[C@H](N)C(=O)O)C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N14378.7Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)N(CCC[C@H](N)C(=O)O)C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N14011.7Standard non polar33892256
Pentosidine,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)N(CCC[C@H](N)C(=O)O)C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N15335.5Standard polar33892256
Pentosidine,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N14408.4Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N14012.0Standard non polar33892256
Pentosidine,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N15341.9Standard polar33892256
Pentosidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C2=N1)C(=O)O[Si](C)(C)C(C)(C)C4134.7Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C2=N1)C(=O)O[Si](C)(C)C(C)(C)C3883.8Standard non polar33892256
Pentosidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C2=N1)C(=O)O[Si](C)(C)C(C)(C)C5254.0Standard polar33892256
Pentosidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C214059.0Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C213884.8Standard non polar33892256
Pentosidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C215550.1Standard polar33892256
Pentosidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N=C21)C(=O)O4245.3Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N=C21)C(=O)O3935.8Standard non polar33892256
Pentosidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N=C21)C(=O)O5029.0Standard polar33892256
Pentosidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4338.4Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3952.8Standard non polar33892256
Pentosidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5407.9Standard polar33892256
Pentosidine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4164.9Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3922.2Standard non polar33892256
Pentosidine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C5293.2Standard polar33892256
Pentosidine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N14313.4Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N13962.3Standard non polar33892256
Pentosidine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N15291.7Standard polar33892256
Pentosidine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O4171.9Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O3937.6Standard non polar33892256
Pentosidine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O5199.1Standard polar33892256
Pentosidine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C2=N1)C(=O)O4238.7Semi standard non polar33892256
Pentosidine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C2=N1)C(=O)O3931.7Standard non polar33892256
Pentosidine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C2=N1)C(=O)O5033.7Standard polar33892256
Pentosidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N=C21)C(=O)O[Si](C)(C)C(C)(C)C4264.0Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N=C21)C(=O)O[Si](C)(C)C(C)(C)C4066.1Standard non polar33892256
Pentosidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N=C21)C(=O)O[Si](C)(C)C(C)(C)C4702.0Standard polar33892256
Pentosidine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N1)[Si](C)(C)C(C)(C)C4423.1Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N1)[Si](C)(C)C(C)(C)C4106.6Standard non polar33892256
Pentosidine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N1)[Si](C)(C)C(C)(C)C4991.2Standard polar33892256
Pentosidine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O[Si](C)(C)C(C)(C)C4458.4Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O[Si](C)(C)C(C)(C)C4132.2Standard non polar33892256
Pentosidine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O[Si](C)(C)C(C)(C)C4776.4Standard polar33892256
Pentosidine,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C2=N1)[Si](C)(C)C(C)(C)C)C(=O)O4300.4Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C2=N1)[Si](C)(C)C(C)(C)C)C(=O)O4080.1Standard non polar33892256
Pentosidine,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C2=N1)[Si](C)(C)C(C)(C)C)C(=O)O4725.5Standard polar33892256
Pentosidine,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(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)C2=N1)C(=O)O4454.1Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(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)C2=N1)C(=O)O4129.5Standard non polar33892256
Pentosidine,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(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)C2=N1)C(=O)O4810.6Standard polar33892256
Pentosidine,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N=C21)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4444.1Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N=C21)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4120.8Standard non polar33892256
Pentosidine,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N=C21)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5079.8Standard polar33892256
Pentosidine,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C214441.5Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C214112.9Standard non polar33892256
Pentosidine,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C214990.3Standard polar33892256
Pentosidine,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)N([C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O)[Si](C)(C)C(C)(C)C4686.5Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)N([C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O)[Si](C)(C)C(C)(C)C4210.5Standard non polar33892256
Pentosidine,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)N([C@@H](CCCCN1C=CC=C2N=C(NCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O)[Si](C)(C)C(C)(C)C4851.4Standard polar33892256
Pentosidine,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N1)[Si](C)(C)C(C)(C)C)C(=O)O4525.6Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N1)[Si](C)(C)C(C)(C)C)C(=O)O4164.4Standard non polar33892256
Pentosidine,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N1)[Si](C)(C)C(C)(C)C)C(=O)O4801.3Standard polar33892256
Pentosidine,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O4550.6Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O4170.1Standard non polar33892256
Pentosidine,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O4793.8Standard polar33892256
Pentosidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCNC1=NC2=CC=CN(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)C2=N14390.7Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCNC1=NC2=CC=CN(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)C2=N14071.8Standard non polar33892256
Pentosidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCNC1=NC2=CC=CN(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)C2=N15052.3Standard polar33892256
Pentosidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O[Si](C)(C)C(C)(C)C4196.2Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O[Si](C)(C)C(C)(C)C4029.0Standard non polar33892256
Pentosidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O[Si](C)(C)C(C)(C)C4944.8Standard polar33892256
Pentosidine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(NCCC[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)N=C214391.9Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(NCCC[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)N=C214076.9Standard non polar33892256
Pentosidine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN1C=CC=C2N=C(NCCC[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)N=C215047.7Standard polar33892256
Pentosidine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C2=N1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4200.0Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C2=N1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4023.3Standard non polar33892256
Pentosidine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C2=N1)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4955.1Standard polar33892256
Pentosidine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N1)C(=O)O[Si](C)(C)C(C)(C)C4444.9Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N1)C(=O)O[Si](C)(C)C(C)(C)C4127.4Standard non polar33892256
Pentosidine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCCNC1=NC2=CC=CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C2=N1)C(=O)O[Si](C)(C)C(C)(C)C4786.5Standard polar33892256
Pentosidine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O4302.2Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O4084.2Standard non polar33892256
Pentosidine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(N(CCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21)C(=O)O4716.4Standard polar33892256
Pentosidine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[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)N=C21)C(=O)O4468.5Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[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)N=C21)C(=O)O4133.6Standard non polar33892256
Pentosidine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@@H](CCCCN1C=CC=C2N=C(NCCC[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)N=C21)C(=O)O4804.5Standard polar33892256
Pentosidine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4472.0Semi standard non polar33892256
Pentosidine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4116.3Standard non polar33892256
Pentosidine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C1=NC2=CC=CN(CCCC[C@H](N)C(=O)O)C2=N1)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5089.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Pentosidine GC-MS (Non-derivatized) - 70eV, Positivesplash10-007o-4094000000-b245a56b4c9094108ea22017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosidine GC-MS (2 TMS) - 70eV, Positivesplash10-0a4i-4211910000-59669c61174e8270f6612017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosidine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pentosidine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosidine 10V, Negative-QTOFsplash10-004i-0149000000-2a909c3ad75709cde23e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosidine 20V, Negative-QTOFsplash10-01pk-0293000000-eeb163c55cfb060f0c612016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosidine 40V, Negative-QTOFsplash10-001i-1950000000-5d9db7e4abc522668b222016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosidine 10V, Negative-QTOFsplash10-004i-0009000000-3b946fd4b0a28aeb29712021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosidine 20V, Negative-QTOFsplash10-004i-0019000000-5f1b8e5ff797463a68202021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosidine 40V, Negative-QTOFsplash10-0ukc-4961000000-2b993718b8caf22c04fa2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosidine 10V, Positive-QTOFsplash10-001i-0029000000-854262062e9598613fa02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosidine 20V, Positive-QTOFsplash10-00li-1197000000-4461d8ac18aadaf3b3db2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosidine 40V, Positive-QTOFsplash10-00lr-2690000000-9ecd9c1086a3f55eb39e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosidine 10V, Positive-QTOFsplash10-004i-0009000000-244f448f9ba9d32e5b4a2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosidine 20V, Positive-QTOFsplash10-02l3-0029000000-3c1b78586f20cb5fe12e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pentosidine 40V, Positive-QTOFsplash10-0zmi-1290000000-148af4f7447ffdcbee662021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.14 +/- 0.05 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified11.17 (9.89-12.45) uMAdult (>18 years old)Not SpecifiedNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified1.53 +/- 0.79 uMAdult (>18 years old)Bothuremia details
BloodDetected and Quantified0.0051 +/- 0.0016 uMAdult (>18 years old)BothRenal transplantation details
BloodDetected and Quantified2.620 +/- 1.310 uMAdult (>18 years old)Both
Uremia		 details
Cerebrospinal Fluid (CSF)Detected and Quantified12.5 (12.0-13.0) uMAdult (>18 years old)Not SpecifiedAlzheimer's disease details
Cerebrospinal Fluid (CSF)Detected and Quantified22.5 (21.0-24.0) uMAdult (>18 years old)Not SpecifiedVascular dementia details
Associated Disorders and Diseases
Disease References
Kidney transplantation
  1. Yoshida K, Yoneda T, Fujimoto K, Hirao Y, Konishi N: Pentosidine and its deposition in renal tissue in renal transplantation. Transplant Proc. 2005 Dec;37(10):4266-72. [PubMed:16387094 ]
Uremia
  1. Duranton F, Cohen G, De Smet R, Rodriguez M, Jankowski J, Vanholder R, Argiles A: Normal and pathologic concentrations of uremic toxins. J Am Soc Nephrol. 2012 Jul;23(7):1258-70. doi: 10.1681/ASN.2011121175. Epub 2012 May 24. [PubMed:22626821 ]
  2. Vanholder R, De Smet R, Glorieux G, Argiles A, Baurmeister U, Brunet P, Clark W, Cohen G, De Deyn PP, Deppisch R, Descamps-Latscha B, Henle T, Jorres A, Lemke HD, Massy ZA, Passlick-Deetjen J, Rodriguez M, Stegmayr B, Stenvinkel P, Tetta C, Wanner C, Zidek W: Review on uremic toxins: classification, concentration, and interindividual variability. Kidney Int. 2003 May;63(5):1934-43. doi: 10.1046/j.1523-1755.2003.00924.x. [PubMed:12675874 ]
Alzheimer's disease
  1. Bar KJ, Franke S, Wenda B, Muller S, Kientsch-Engel R, Stein G, Sauer H: Pentosidine and N(epsilon)-(carboxymethyl)-lysine in Alzheimer's disease and vascular dementia. Neurobiol Aging. 2003 Mar-Apr;24(2):333-8. [PubMed:12498967 ]
Multi-infarct dementia
  1. Bar KJ, Franke S, Wenda B, Muller S, Kientsch-Engel R, Stein G, Sauer H: Pentosidine and N(epsilon)-(carboxymethyl)-lysine in Alzheimer's disease and vascular dementia. Neurobiol Aging. 2003 Mar-Apr;24(2):333-8. [PubMed:12498967 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023252
KNApSAcK IDNot Available
Chemspider ID106787
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPentosidine
METLIN IDNot Available
PubChem Compound119593
PDB IDNot Available
ChEBI ID59951
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00013449
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Bar KJ, Franke S, Wenda B, Muller S, Kientsch-Engel R, Stein G, Sauer H: Pentosidine and N(epsilon)-(carboxymethyl)-lysine in Alzheimer's disease and vascular dementia. Neurobiol Aging. 2003 Mar-Apr;24(2):333-8. [PubMed:12498967 ]
  2. Zoccali C, Mallamaci F, Tripepi G: AGEs and carbonyl stress: potential pathogenetic factors of long-term uraemic complications. Nephrol Dial Transplant. 2000;15 Suppl 2:7-11. [PubMed:11051031 ]
  3. Sugiyama S, Miyata T, Horie K, Iida Y, Tsuyuki M, Tanaka H, Maeda K: Advanced glycation end-products in diabetic nephropathy. Nephrol Dial Transplant. 1996;11 Suppl 5:91-4. [PubMed:9044316 ]
  4. Wells-Knecht KJ, Brinkmann E, Wells-Knecht MC, Litchfield JE, Ahmed MU, Reddy S, Zyzak DV, Thorpe SR, Baynes JW: New biomarkers of Maillard reaction damage to proteins. Nephrol Dial Transplant. 1996;11 Suppl 5:41-7. [PubMed:9044306 ]
  5. Duranton F, Cohen G, De Smet R, Rodriguez M, Jankowski J, Vanholder R, Argiles A: Normal and pathologic concentrations of uremic toxins. J Am Soc Nephrol. 2012 Jul;23(7):1258-70. doi: 10.1681/ASN.2011121175. Epub 2012 May 24. [PubMed:22626821 ]