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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (6) Show 6 proteins XML

enzymes (6) Show 6 proteins

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2009-04-06 16:22:39 UTC

Update Date

2021-09-14 15:38:59 UTC

HMDB ID

HMDB0012304

Secondary Accession Numbers

HMDB12304

Metabolite Identification

Common Name

UDP-L-iduronate

Description

UDP-L-iduronate is converted from UDP-n-glucuronic acid. n-Iduronic and n-glucuronic acid have been identified as the hexuronic acid components of dermatan sulfate. UDP-Dglucose is the metabolic precursor of both uranic acids. Conversion of UDP-u-glucose to UDP-n-glucuronic acid and the subsequent C-5 inversion of UDP-n-glucuronic acid to UDP-Liduronic acid is catalyzed by extracts of mammalian tissues. However, UDP-n-iduronic acid has never been isolated and its role in the polymerization of L-iduronic acid-containing polymers has remained hypothetical.

Structure

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


  Mrv0541 02241203552D          

 37 39  0  0  1  0            999 V2000
    7.7214  -14.3876    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7214  -15.2126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0070  -13.9751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0070  -15.6251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2925  -14.3876    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2925  -15.2126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5780  -15.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0070  -16.4502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4359  -15.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4359  -13.9751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1504  -14.3876    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.5630  -13.6732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8649  -14.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7379  -15.1022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5794  -14.3876    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.9919  -15.1022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1669  -13.6732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2939  -13.9751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0083  -14.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7228  -13.9751    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8090  -13.1547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4765  -14.3107    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6160  -12.9831    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0285  -13.6976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6480  -15.1177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8490  -13.7838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9516  -12.2295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4667  -11.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7721  -12.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8022  -10.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1076  -11.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6227  -10.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6462  -11.6482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9583   -9.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5780  -13.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8636  -14.3876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5780  -13.1501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  6  0  0  0
  4  8  1  1  0  0  0
  2  9  1  6  0  0  0
  1 10  1  6  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 10 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
 13 15  1  0  0  0  0
 19 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 24 23  1  0  0  0  0
 20 19  1  1  0  0  0
 22 25  1  6  0  0  0
 24 26  1  6  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 28  1  0  0  0  0
 31 29  2  0  0  0  0
 32 30  1  0  0  0  0
 32 31  1  0  0  0  0
 23 27  1  1  0  0  0
 33 28  2  0  0  0  0
 34 32  2  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
  5 35  1  6  0  0  0
M  END

HMDB0012304
     RDKit          3D
UDP-L-iduronate
 59 61  0  0  0  0  0  0  0  0999 V2000
    7.1603   -2.6481   -1.1413 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7384   -1.6696   -0.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0970   -1.5217   -0.8459 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9485   -0.7347    0.2137 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6437   -1.1430    0.2538 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860   -0.2893    0.8991 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7839    0.0755   -0.0107 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2505   -0.2832    0.5734 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.4907    1.0257    0.6912 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3264   -1.0590    2.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4938   -1.3122   -0.5175 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3143   -0.4794   -1.4279 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.2700   -1.4166   -2.4449 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0203    0.8684   -2.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9242    0.0047   -0.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1269   -0.0066   -1.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2767    0.4175   -0.1754 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4644    0.3876   -0.8989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4251    0.3378    0.0970 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7643    0.1552   -0.4050 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5270   -0.9164   -0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8202   -1.0467   -0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3267   -0.0281   -1.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4862   -0.0868   -1.9436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5336    1.0415   -1.6791 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2926    1.1280   -1.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6087    2.1596   -1.4216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9533   -0.7837    0.9592 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5109   -0.7236    2.2185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4399   -0.5291    0.9890 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1212    0.1281    2.1931 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4553    0.9940    1.3483 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4479    1.8590    1.7873 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750    1.6124    0.0996 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5842    2.8763    0.3387 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1161    0.6460   -0.3983 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1451    0.5640   -1.7698 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7482   -1.2260   -0.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4348   -0.7449    1.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3006   -0.7336    1.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9955   -0.4255    2.7552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9044    1.6453   -1.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1104    0.6516   -1.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3468   -1.0360   -1.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0877    1.4543    0.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3502    1.2747    0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1061   -1.7040    0.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3962   -1.9338   -0.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8837    1.8417   -2.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0686   -1.7825    0.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7807   -0.5737    2.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8682   -1.4521    0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4128    1.0734    2.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1951    0.8070    2.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5209    1.9222    2.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2743    1.6726   -0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8484    3.5280    0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1089    1.0183   -0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0749    0.3735   -2.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  2  0
 19 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  6 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36  4  1  0
 30 17  1  0
 26 20  1  0
  3 38  1  0
  4 39  1  1
  6 40  1  1
 10 41  1  0
 14 42  1  0
 16 43  1  0
 16 44  1  0
 17 45  1  1
 19 46  1  1
 21 47  1  0
 22 48  1  0
 25 49  1  0
 28 50  1  6
 29 51  1  0
 30 52  1  6
 31 53  1  0
 32 54  1  1
 33 55  1  0
 34 56  1  6
 35 57  1  0
 36 58  1  1
 37 59  1  0
M  END


  Mrv0541 02241203552D          

 37 39  0  0  1  0            999 V2000
    7.7214  -14.3876    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7214  -15.2126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0070  -13.9751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0070  -15.6251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2925  -14.3876    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2925  -15.2126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5780  -15.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0070  -16.4502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4359  -15.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4359  -13.9751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1504  -14.3876    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.5630  -13.6732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8649  -14.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7379  -15.1022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5794  -14.3876    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.9919  -15.1022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1669  -13.6732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2939  -13.9751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0083  -14.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7228  -13.9751    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8090  -13.1547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4765  -14.3107    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6160  -12.9831    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0285  -13.6976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6480  -15.1177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8490  -13.7838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9516  -12.2295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4667  -11.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7721  -12.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8022  -10.8083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1076  -11.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6227  -10.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6462  -11.6482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9583   -9.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5780  -13.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8636  -14.3876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5780  -13.1501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  6  0  0  0
  4  8  1  1  0  0  0
  2  9  1  6  0  0  0
  1 10  1  6  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 10 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
 13 15  1  0  0  0  0
 19 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 24 23  1  0  0  0  0
 20 19  1  1  0  0  0
 22 25  1  6  0  0  0
 24 26  1  6  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 28  1  0  0  0  0
 31 29  2  0  0  0  0
 32 30  1  0  0  0  0
 32 31  1  0  0  0  0
 23 27  1  1  0  0  0
 33 28  2  0  0  0  0
 34 32  2  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
  5 35  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0012304

> <DATABASE_NAME>
hmdb

> <SMILES>
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11-,12-,14-/m1/s1

> <INCHI_KEY>
HDYANYHVCAPMJV-NTWGTYGRSA-N

> <FORMULA>
C15H22N2O18P2

> <MOLECULAR_WEIGHT>
580.2853

> <EXACT_MASS>
580.034284934

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
45.136698465752296

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S,5R,6R)-6-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
-1.21

> <JCHEM_LOGP>
-4.676333540666667

> <ALOGPS_LOGS>
-1.51

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.9010149783374013

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.716401031397627

> <JCHEM_PKA_STRONGEST_BASIC>
-3.73201272403137

> <JCHEM_POLAR_SURFACE_AREA>
308.60999999999996

> <JCHEM_REFRACTIVITY>
106.32319999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.81e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4S,5R,6R)-6-[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0012304
     RDKit          3D
UDP-L-iduronate
 59 61  0  0  0  0  0  0  0  0999 V2000
    7.1603   -2.6481   -1.1413 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7384   -1.6696   -0.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0970   -1.5217   -0.8459 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9485   -0.7347    0.2137 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6437   -1.1430    0.2538 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860   -0.2893    0.8991 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7839    0.0755   -0.0107 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2505   -0.2832    0.5734 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.4907    1.0257    0.6912 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3264   -1.0590    2.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4938   -1.3122   -0.5175 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3143   -0.4794   -1.4279 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.2700   -1.4166   -2.4449 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0203    0.8684   -2.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9242    0.0047   -0.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1269   -0.0066   -1.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2767    0.4175   -0.1754 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4644    0.3876   -0.8989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4251    0.3378    0.0970 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7643    0.1552   -0.4050 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5270   -0.9164   -0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8202   -1.0467   -0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3267   -0.0281   -1.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4862   -0.0868   -1.9436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5336    1.0415   -1.6791 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2926    1.1280   -1.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6087    2.1596   -1.4216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9533   -0.7837    0.9592 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5109   -0.7236    2.2185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4399   -0.5291    0.9890 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1212    0.1281    2.1931 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4553    0.9940    1.3483 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4479    1.8590    1.7873 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750    1.6124    0.0996 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5842    2.8763    0.3387 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1161    0.6460   -0.3983 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1451    0.5640   -1.7698 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7482   -1.2260   -0.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4348   -0.7449    1.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3006   -0.7336    1.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9955   -0.4255    2.7552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9044    1.6453   -1.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1104    0.6516   -1.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3468   -1.0360   -1.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0877    1.4543    0.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3502    1.2747    0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1061   -1.7040    0.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3962   -1.9338   -0.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8837    1.8417   -2.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0686   -1.7825    0.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7807   -0.5737    2.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8682   -1.4521    0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4128    1.0734    2.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1951    0.8070    2.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5209    1.9222    2.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2743    1.6726   -0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8484    3.5280    0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1089    1.0183   -0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0749    0.3735   -2.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  2  0
 19 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  6 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36  4  1  0
 30 17  1  0
 26 20  1  0
  3 38  1  0
  4 39  1  1
  6 40  1  1
 10 41  1  0
 14 42  1  0
 16 43  1  0
 16 44  1  0
 17 45  1  1
 19 46  1  1
 21 47  1  0
 22 48  1  0
 25 49  1  0
 28 50  1  6
 29 51  1  0
 30 52  1  6
 31 53  1  0
 32 54  1  1
 33 55  1  0
 34 56  1  6
 35 57  1  0
 36 58  1  1
 37 59  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      14.413 -26.857   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.413 -28.397   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      13.080 -26.087   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      13.080 -29.167   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.746 -26.857   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.746 -28.397   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      10.412 -29.167   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      13.080 -30.707   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      15.747 -29.167   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      15.747 -26.087   0.000  0.00  0.00           O+0
HETATM   11  P   UNK     0      17.081 -26.857   0.000  0.00  0.00           P+0
HETATM   12  O   UNK     0      17.851 -25.523   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      18.414 -27.627   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      16.311 -28.191   0.000  0.00  0.00           O+0
HETATM   15  P   UNK     0      19.748 -26.857   0.000  0.00  0.00           P+0
HETATM   16  O   UNK     0      20.518 -28.191   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      18.978 -25.523   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      21.082 -26.087   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      22.415 -26.857   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      23.749 -26.087   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      23.910 -24.555   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      25.156 -26.713   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      25.417 -24.235   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      26.187 -25.569   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      25.476 -28.220   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      27.718 -25.730   0.000  0.00  0.00           O+0
HETATM   27  N   UNK     0      26.043 -22.828   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0      25.138 -21.582   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      27.575 -22.667   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0      25.764 -20.175   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0      28.201 -21.260   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      27.296 -20.015   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      23.606 -21.743   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      27.922 -18.608   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      10.412 -26.087   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       9.079 -26.857   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      10.412 -24.547   0.000  0.00  0.00           O+0
CONECT    1    2    3   10                                                  
CONECT    2    1    4    9                                                  
CONECT    3    1    5                                                       
CONECT    4    2    6    8                                                  
CONECT    5    3    6   35                                                  
CONECT    6    4    5    7                                                  
CONECT    7    6                                                            
CONECT    8    4                                                            
CONECT    9    2                                                            
CONECT   10    1   11                                                       
CONECT   11   12   13   14   10                                             
CONECT   12   11                                                            
CONECT   13   11   15                                                       
CONECT   14   11                                                            
CONECT   15   16   17   18   13                                             
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   15   19                                                       
CONECT   19   18   20                                                       
CONECT   20   21   22   19                                                  
CONECT   21   20   23                                                       
CONECT   22   20   24   25                                                  
CONECT   23   21   24   27                                                  
CONECT   24   22   23   26                                                  
CONECT   25   22                                                            
CONECT   26   24                                                            
CONECT   27   28   29   23                                                  
CONECT   28   27   30   33                                                  
CONECT   29   27   31                                                       
CONECT   30   28   32                                                       
CONECT   31   29   32                                                       
CONECT   32   30   31   34                                                  
CONECT   33   28                                                            
CONECT   34   32                                                            
CONECT   35   36   37    5                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   78    0
END

COMPND    HMDB0012304
HETATM    1  O1  UNL     1       7.160  -2.648  -1.141  1.00  0.00           O  
HETATM    2  C1  UNL     1       7.738  -1.670  -0.616  1.00  0.00           C  
HETATM    3  O2  UNL     1       9.097  -1.522  -0.846  1.00  0.00           O  
HETATM    4  C2  UNL     1       6.949  -0.735   0.214  1.00  0.00           C  
HETATM    5  O3  UNL     1       5.644  -1.143   0.254  1.00  0.00           O  
HETATM    6  C3  UNL     1       4.786  -0.289   0.899  1.00  0.00           C  
HETATM    7  O4  UNL     1       3.784   0.076  -0.011  1.00  0.00           O  
HETATM    8  P1  UNL     1       2.251  -0.283   0.573  1.00  0.00           P  
HETATM    9  O5  UNL     1       1.491   1.026   0.691  1.00  0.00           O  
HETATM   10  O6  UNL     1       2.326  -1.059   2.070  1.00  0.00           O  
HETATM   11  O7  UNL     1       1.494  -1.312  -0.518  1.00  0.00           O  
HETATM   12  P2  UNL     1       0.314  -0.479  -1.428  1.00  0.00           P  
HETATM   13  O8  UNL     1      -0.270  -1.417  -2.445  1.00  0.00           O  
HETATM   14  O9  UNL     1       1.020   0.868  -2.165  1.00  0.00           O  
HETATM   15  O10 UNL     1      -0.924   0.005  -0.387  1.00  0.00           O  
HETATM   16  C4  UNL     1      -2.127  -0.007  -1.054  1.00  0.00           C  
HETATM   17  C5  UNL     1      -3.277   0.418  -0.175  1.00  0.00           C  
HETATM   18  O11 UNL     1      -4.464   0.388  -0.899  1.00  0.00           O  
HETATM   19  C6  UNL     1      -5.425   0.338   0.097  1.00  0.00           C  
HETATM   20  N1  UNL     1      -6.764   0.155  -0.405  1.00  0.00           N  
HETATM   21  C7  UNL     1      -7.527  -0.916  -0.166  1.00  0.00           C  
HETATM   22  C8  UNL     1      -8.820  -1.047  -0.676  1.00  0.00           C  
HETATM   23  C9  UNL     1      -9.327  -0.028  -1.455  1.00  0.00           C  
HETATM   24  O12 UNL     1     -10.486  -0.087  -1.944  1.00  0.00           O  
HETATM   25  N2  UNL     1      -8.534   1.041  -1.679  1.00  0.00           N  
HETATM   26  C10 UNL     1      -7.293   1.128  -1.169  1.00  0.00           C  
HETATM   27  O13 UNL     1      -6.609   2.160  -1.422  1.00  0.00           O  
HETATM   28  C11 UNL     1      -4.953  -0.784   0.959  1.00  0.00           C  
HETATM   29  O14 UNL     1      -5.511  -0.724   2.218  1.00  0.00           O  
HETATM   30  C12 UNL     1      -3.440  -0.529   0.989  1.00  0.00           C  
HETATM   31  O15 UNL     1      -3.121   0.128   2.193  1.00  0.00           O  
HETATM   32  C13 UNL     1       5.455   0.994   1.348  1.00  0.00           C  
HETATM   33  O16 UNL     1       4.448   1.859   1.787  1.00  0.00           O  
HETATM   34  C14 UNL     1       6.075   1.612   0.100  1.00  0.00           C  
HETATM   35  O17 UNL     1       6.584   2.876   0.339  1.00  0.00           O  
HETATM   36  C15 UNL     1       7.116   0.646  -0.398  1.00  0.00           C  
HETATM   37  O18 UNL     1       7.145   0.564  -1.770  1.00  0.00           O  
HETATM   38  H1  UNL     1       9.748  -1.226  -0.126  1.00  0.00           H  
HETATM   39  H2  UNL     1       7.435  -0.745   1.232  1.00  0.00           H  
HETATM   40  H3  UNL     1       4.301  -0.734   1.798  1.00  0.00           H  
HETATM   41  H4  UNL     1       1.995  -0.426   2.755  1.00  0.00           H  
HETATM   42  H5  UNL     1       0.904   1.645  -1.551  1.00  0.00           H  
HETATM   43  H6  UNL     1      -2.110   0.652  -1.933  1.00  0.00           H  
HETATM   44  H7  UNL     1      -2.347  -1.036  -1.405  1.00  0.00           H  
HETATM   45  H8  UNL     1      -3.088   1.454   0.215  1.00  0.00           H  
HETATM   46  H9  UNL     1      -5.350   1.275   0.684  1.00  0.00           H  
HETATM   47  H10 UNL     1      -7.106  -1.704   0.449  1.00  0.00           H  
HETATM   48  H11 UNL     1      -9.396  -1.934  -0.454  1.00  0.00           H  
HETATM   49  H12 UNL     1      -8.884   1.842  -2.270  1.00  0.00           H  
HETATM   50  H13 UNL     1      -5.069  -1.782   0.492  1.00  0.00           H  
HETATM   51  H14 UNL     1      -4.781  -0.574   2.870  1.00  0.00           H  
HETATM   52  H15 UNL     1      -2.868  -1.452   0.901  1.00  0.00           H  
HETATM   53  H16 UNL     1      -3.413   1.073   2.074  1.00  0.00           H  
HETATM   54  H17 UNL     1       6.195   0.807   2.127  1.00  0.00           H  
HETATM   55  H18 UNL     1       4.521   1.922   2.780  1.00  0.00           H  
HETATM   56  H19 UNL     1       5.274   1.673  -0.669  1.00  0.00           H  
HETATM   57  H20 UNL     1       5.848   3.528   0.174  1.00  0.00           H  
HETATM   58  H21 UNL     1       8.109   1.018  -0.050  1.00  0.00           H  
HETATM   59  H22 UNL     1       8.075   0.373  -2.057  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   38
CONECT    4    5   36   39
CONECT    5    6
CONECT    6    7   32   40
CONECT    7    8
CONECT    8    9    9   10   11
CONECT   10   41
CONECT   11   12
CONECT   12   13   13   14   15
CONECT   14   42
CONECT   15   16
CONECT   16   17   43   44
CONECT   17   18   30   45
CONECT   18   19
CONECT   19   20   28   46
CONECT   20   21   26
CONECT   21   22   22   47
CONECT   22   23   48
CONECT   23   24   24   25
CONECT   25   26   49
CONECT   26   27   27
CONECT   28   29   30   50
CONECT   29   51
CONECT   30   31   52
CONECT   31   53
CONECT   32   33   34   54
CONECT   33   55
CONECT   34   35   36   56
CONECT   35   57
CONECT   36   37   58
CONECT   37   59
END

HMDB0012304
     RDKit          3D
UDP-L-iduronate
 59 61  0  0  0  0  0  0  0  0999 V2000
    7.1603   -2.6481   -1.1413 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7384   -1.6696   -0.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0970   -1.5217   -0.8459 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9485   -0.7347    0.2137 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6437   -1.1430    0.2538 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860   -0.2893    0.8991 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7839    0.0755   -0.0107 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2505   -0.2832    0.5734 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.4907    1.0257    0.6912 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3264   -1.0590    2.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4938   -1.3122   -0.5175 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3143   -0.4794   -1.4279 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.2700   -1.4166   -2.4449 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0203    0.8684   -2.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9242    0.0047   -0.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1269   -0.0066   -1.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2767    0.4175   -0.1754 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4644    0.3876   -0.8989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4251    0.3378    0.0970 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7643    0.1552   -0.4050 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5270   -0.9164   -0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8202   -1.0467   -0.6759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3267   -0.0281   -1.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4862   -0.0868   -1.9436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5336    1.0415   -1.6791 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2926    1.1280   -1.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6087    2.1596   -1.4216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9533   -0.7837    0.9592 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5109   -0.7236    2.2185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4399   -0.5291    0.9890 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1212    0.1281    2.1931 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4553    0.9940    1.3483 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4479    1.8590    1.7873 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750    1.6124    0.0996 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5842    2.8763    0.3387 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1161    0.6460   -0.3983 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1451    0.5640   -1.7698 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7482   -1.2260   -0.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4348   -0.7449    1.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3006   -0.7336    1.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9955   -0.4255    2.7552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9044    1.6453   -1.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1104    0.6516   -1.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3468   -1.0360   -1.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0877    1.4543    0.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3502    1.2747    0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1061   -1.7040    0.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3962   -1.9338   -0.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8837    1.8417   -2.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0686   -1.7825    0.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7807   -0.5737    2.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8682   -1.4521    0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4128    1.0734    2.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1951    0.8070    2.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5209    1.9222    2.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2743    1.6726   -0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8484    3.5280    0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1089    1.0183   -0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0749    0.3735   -2.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  2  0
 19 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  6 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36  4  1  0
 30 17  1  0
 26 20  1  0
  3 38  1  0
  4 39  1  1
  6 40  1  1
 10 41  1  0
 14 42  1  0
 16 43  1  0
 16 44  1  0
 17 45  1  1
 19 46  1  1
 21 47  1  0
 22 48  1  0
 25 49  1  0
 28 50  1  6
 29 51  1  0
 30 52  1  6
 31 53  1  0
 32 54  1  1
 33 55  1  0
 34 56  1  6
 35 57  1  0
 36 58  1  1
 37 59  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
UDP-L-Iduronic acid	Generator
UDP-Glucuronic acid	HMDB
UDP-b-L-Iduronate	Generator
UDP-b-L-Iduronic acid	Generator
UDP-beta-L-Iduronate	Generator
UDP-Β-L-iduronate	Generator
UDP-Β-L-iduronic acid	Generator

Chemical Formula

C₁₅H₂₂N₂O₁₈P₂

Average Molecular Weight

580.2853

Monoisotopic Molecular Weight

580.034284934

IUPAC Name

(2R,3S,4S,5R,6R)-6-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Traditional Name

(2R,3S,4S,5R,6R)-6-[({[(2R,3S,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O

InChI Identifier

InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11-,12-,14-/m1/s1

InChI Key

HDYANYHVCAPMJV-NTWGTYGRSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine nucleotide sugars

Direct Parent

Pyrimidine nucleotide sugars

Alternative Parents

Substituents

Pyrimidine nucleotide sugar
Pyrimidine ribonucleoside diphosphate
Pentose phosphate
Pentose-5-phosphate
Glucuronic acid or derivatives
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Organic pyrophosphate
Beta-hydroxy acid
Monoalkyl phosphate
Pyrimidone
Hydropyrimidine
Hydroxy acid
Monosaccharide
Organic phosphoric acid derivative
Oxane
Phosphoric acid ester
Pyran
Pyrimidine
Alkyl phosphate
Tetrahydrofuran
Vinylogous amide
Heteroaromatic compound
Secondary alcohol
Urea
Lactam
Carboxylic acid derivative
Carboxylic acid
Azacycle
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Polyol
Organooxygen compound
Alcohol
Organic oxygen compound
Hydrocarbon derivative
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Carbonyl group
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0012304)

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

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	18.1 g/L	ALOGPS
logP	-1.2	ALOGPS
logP	-4.7	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	1.72	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	308.61 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	106.32 m³·mol⁻¹	ChemAxon
Polarizability	45.14 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	215.463	30932474
DeepCCS	[M-H]-	213.622	30932474
DeepCCS	[M-2H]-	247.657	30932474
DeepCCS	[M+Na]+	221.675	30932474
AllCCS	[M+H]+	214.2	32859911
AllCCS	[M+H-H2O]+	212.8	32859911
AllCCS	[M+NH4]+	215.5	32859911
AllCCS	[M+Na]+	215.8	32859911
AllCCS	[M-H]-	208.5	32859911
AllCCS	[M+Na-2H]-	209.4	32859911
AllCCS	[M+HCOO]-	210.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
UDP-L-iduronate	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O	4906.5	Standard polar	33892256
UDP-L-iduronate	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O	3268.8	Standard non polar	33892256
UDP-L-iduronate	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O	4827.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
UDP-L-iduronate,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	4335.6	Semi standard non polar	33892256
UDP-L-iduronate,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4308.2	Semi standard non polar	33892256
UDP-L-iduronate,1TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[C@@H](C(=O)O)[C@H]1O	4274.3	Semi standard non polar	33892256
UDP-L-iduronate,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O	4311.3	Semi standard non polar	33892256
UDP-L-iduronate,1TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4298.4	Semi standard non polar	33892256
UDP-L-iduronate,1TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]1N1C=CC(=O)[NH]C1=O	4325.4	Semi standard non polar	33892256
UDP-L-iduronate,1TMS,isomer #7	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4385.2	Semi standard non polar	33892256
UDP-L-iduronate,1TMS,isomer #8	C[Si](C)(C)OP(=O)(O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O	4399.2	Semi standard non polar	33892256
UDP-L-iduronate,1TMS,isomer #9	C[Si](C)(C)N1C(=O)C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C1=O	4421.4	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4149.7	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4135.6	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[C@H]1C(=O)O	4137.0	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4130.2	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4218.1	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O	4205.5	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4313.0	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4138.7	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](C(=O)O)[C@H]1O	4093.3	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #18	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4093.8	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[C@@H](C(=O)O)[C@H]1O	4184.5	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4146.6	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	4170.9	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[C@@H](C(=O)O)[C@H]1O	4285.5	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #22	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4137.2	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	4142.5	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #24	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O	4224.1	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	4210.5	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O	4320.1	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #27	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4142.8	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #28	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4226.9	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #29	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4213.9	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	4105.1	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #30	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4306.0	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #31	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]1N1C=CC(=O)[NH]C1=O	4212.1	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #32	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@H]1N1C=CC(=O)[NH]C1=O	4223.1	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #33	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]1N1C=CC(=O)N([Si](C)(C)C)C1=O	4327.2	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #34	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O)OP(=O)(O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C	4278.3	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #35	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4367.2	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #36	C[Si](C)(C)OP(=O)(O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O	4379.9	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	4153.8	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O[Si](C)(C)C	4176.2	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	4225.0	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	4234.2	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O	4329.9	Semi standard non polar	33892256
UDP-L-iduronate,2TMS,isomer #9	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4147.2	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4037.8	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	3996.1	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4053.1	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O	4047.6	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4160.7	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	4005.0	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	3993.2	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	4032.5	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	4024.1	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	4133.6	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4030.4	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4008.4	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	4054.5	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	4063.0	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #22	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O	4169.9	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O[Si](C)(C)C	4074.0	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #24	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O[Si](C)(C)C	4080.2	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O[Si](C)(C)C	4185.7	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	4100.5	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #27	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O	4225.8	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #28	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O	4225.6	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #29	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4013.6	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3979.6	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #30	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4011.5	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #31	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4006.0	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #32	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4073.6	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #33	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4067.7	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #34	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4166.1	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #35	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]1C(=O)O	3997.7	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #36	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	3993.9	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #37	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4048.9	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #38	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O	4042.3	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #39	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4151.9	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #4	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4013.4	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #40	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[C@@H](C(=O)O)[C@H]1O[Si](C)(C)C	4034.8	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #41	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[C@H]1C(=O)O	4053.9	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #42	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1C(=O)O	4041.6	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #43	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[C@H]1C(=O)O	4152.8	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #44	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4048.5	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #45	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4037.2	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #46	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4151.2	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #47	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O	4090.6	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #48	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4213.4	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #49	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O	4211.6	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4069.2	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #50	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4007.3	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #51	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4002.5	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #52	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4057.7	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #53	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4044.2	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #54	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4159.9	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #55	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3976.0	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #56	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](C(=O)O)[C@H]1O	4026.4	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #57	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	4016.6	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #58	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](C(=O)O)[C@H]1O	4123.7	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #59	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4033.4	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4064.9	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #60	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4026.5	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #61	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4130.4	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #62	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	4066.4	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #63	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[C@@H](C(=O)O)[C@H]1O	4188.1	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #64	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	4185.2	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #65	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4008.8	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #66	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4067.0	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #67	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4058.3	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #68	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4162.3	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #69	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	4059.6	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4170.0	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #70	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	4050.2	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #71	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	4161.1	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #72	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	4094.4	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #73	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O	4224.2	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #74	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	4219.2	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #75	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4071.0	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #76	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4066.1	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #77	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4164.4	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #78	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4108.7	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #79	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4222.9	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4020.2	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #80	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4220.5	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #81	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@H]1N1C=CC(=O)[NH]C1=O	4095.7	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #82	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]1N1C=CC(=O)N([Si](C)(C)C)C1=O	4215.2	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #83	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@H]1N1C=CC(=O)N([Si](C)(C)C)C1=O	4217.3	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #84	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O)OP(=O)(O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C	4259.7	Semi standard non polar	33892256
UDP-L-iduronate,3TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]1C(=O)O	3999.3	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3953.8	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #10	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3983.8	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #100	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4095.9	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #101	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4091.7	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #102	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3978.1	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #103	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3962.7	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #104	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4040.6	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #105	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	3998.3	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #106	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](C(=O)O)[C@H]1O	4070.1	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #107	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	4067.7	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #108	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4014.2	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #109	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4086.1	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #11	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4061.8	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #110	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4082.0	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #111	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	4106.8	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #112	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3991.9	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #113	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3980.6	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #114	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4062.3	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #115	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4026.1	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #116	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4107.1	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #117	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4102.7	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #118	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	4015.3	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #119	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	4093.4	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3938.0	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #120	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	4092.0	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #121	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	4127.5	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #122	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4029.8	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #123	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4105.3	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #124	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4103.5	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #125	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4133.9	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #126	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@H]1N1C=CC(=O)N([Si](C)(C)C)C1=O	4121.3	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #13	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3982.9	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3968.2	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4041.1	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #16	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3997.5	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #17	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3987.9	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #18	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4067.0	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #19	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4033.6	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3932.1	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #20	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4106.5	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #21	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4107.2	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H]1C(=O)O	3950.4	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O[Si](C)(C)C	3950.0	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #24	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	3992.2	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O	3983.2	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4078.8	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #27	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	3964.6	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]1C(=O)O	3991.0	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #29	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1C(=O)O	3980.2	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3954.4	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #30	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]1C(=O)O	4054.1	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #31	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	3975.7	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #32	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[Si](C)(C)C)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	3988.6	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #33	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O	4056.0	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #34	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O	4018.8	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #35	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4087.3	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #36	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O	4089.8	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #37	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3953.3	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #38	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	3981.6	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #39	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	3993.3	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #4	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4008.2	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #40	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O	4061.5	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #41	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	3981.5	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #42	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	3968.8	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #43	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	4057.8	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #44	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	4010.3	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #45	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	4075.5	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #46	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O	4073.1	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #47	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3997.9	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #48	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	3989.1	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #49	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4082.4	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3998.8	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #50	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	4024.3	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #51	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O	4096.0	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #52	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O	4096.7	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #53	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O[Si](C)(C)C	4025.0	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #54	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O[Si](C)(C)C	4111.4	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #55	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O[Si](C)(C)C	4108.5	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #56	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O	4126.9	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #57	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3938.0	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #58	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3934.1	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #59	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3995.2	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4086.1	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #60	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3984.4	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #61	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4067.8	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #62	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3977.0	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #63	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3998.6	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #64	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3989.6	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #65	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4065.4	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #66	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3995.9	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #67	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3983.2	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #68	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4064.9	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #69	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4033.1	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3939.9	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #70	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4110.9	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #71	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4110.4	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #72	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](C(=O)O)[C@H]1O[Si](C)(C)C	3963.2	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #73	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]1C(=O)O	3986.3	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #74	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@H]1C(=O)O	3974.8	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #75	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]1C(=O)O	4053.6	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #76	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	3982.9	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #77	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3969.3	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #78	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4053.8	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #79	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O	4010.2	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3939.9	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #80	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4083.3	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #81	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O	4086.7	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #82	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[C@@H](C(=O)O)[C@H]1O[Si](C)(C)C	4005.4	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #83	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](C(=O)O)[C@H]1O[Si](C)(C)C	3992.7	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #84	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[C@@H](C(=O)O)[C@H]1O[Si](C)(C)C	4096.4	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #85	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1C(=O)O	4017.5	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #86	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[C@H]1C(=O)O	4091.5	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #87	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1C(=O)O	4088.0	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #88	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4013.6	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #89	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4090.0	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3994.7	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #90	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4084.9	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #91	C[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O	4121.6	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #92	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3935.3	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #93	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3998.2	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #94	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3986.9	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #95	C[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4063.7	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #96	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O[Si](C)(C)C	3987.0	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #97	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3975.4	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #98	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C)C3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4058.5	Semi standard non polar	33892256
UDP-L-iduronate,4TMS,isomer #99	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4018.2	Semi standard non polar	33892256
UDP-L-iduronate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	4529.6	Semi standard non polar	33892256
UDP-L-iduronate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4492.7	Semi standard non polar	33892256
UDP-L-iduronate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[C@@H](C(=O)O)[C@H]1O	4468.3	Semi standard non polar	33892256
UDP-L-iduronate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O	4502.4	Semi standard non polar	33892256
UDP-L-iduronate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4525.4	Semi standard non polar	33892256
UDP-L-iduronate,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]1N1C=CC(=O)[NH]C1=O	4519.4	Semi standard non polar	33892256
UDP-L-iduronate,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4583.9	Semi standard non polar	33892256
UDP-L-iduronate,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O	4600.6	Semi standard non polar	33892256
UDP-L-iduronate,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N1C(=O)C=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C1=O	4626.6	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4554.8	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4515.2	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[C@H]1C(=O)O	4498.8	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4494.1	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4561.3	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4550.7	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C(C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4631.0	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	4501.9	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)O[C@@H](C(=O)O)[C@H]1O	4485.5	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4501.7	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[C@@H](C(=O)O)[C@H]1O	4536.5	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](C(=O)O)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4520.5	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C(C)(C)C)O[C@@H](C(=O)O)[C@H]1O	4522.6	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C(C)(C)C)C3=O)[C@H](O)[C@@H]2O)O[C@@H](C(=O)O)[C@H]1O	4613.8	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4532.9	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4520.4	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O	4570.3	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4555.8	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O	4642.9	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4552.5	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4602.5	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4592.3	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)O[C@@H](C(=O)O)[C@H]1O	4490.8	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)N([Si](C)(C)C(C)(C)C)C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4671.2	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]1N1C=CC(=O)[NH]C1=O	4575.2	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(=O)[NH]C1=O	4584.4	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]1N1C=CC(=O)N([Si](C)(C)C(C)(C)C)C1=O	4663.5	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O)OP(=O)(O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	4626.0	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4712.9	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OP(=O)(O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@H](O)[C@@H]1O	4720.8	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	4525.4	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O[Si](C)(C)C(C)(C)C	4550.3	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	4581.1	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O	4590.3	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[C@@H]1O	4667.4	Semi standard non polar	33892256
UDP-L-iduronate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4541.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0w29-3322930000-0ce18416678ea80bec67	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (1 TMS) - 70eV, Positive	splash10-009i-6222925000-2fe6323959ffef31a282	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS ("UDP-L-iduronate,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - UDP-L-iduronate GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - UDP-L-iduronate 10V, Positive-QTOF	splash10-03di-0901110000-1e6ffaa5a5ce0874c952	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - UDP-L-iduronate 20V, Positive-QTOF	splash10-03di-4911000000-15ed26bead1c905551e0	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - UDP-L-iduronate 40V, Positive-QTOF	splash10-03di-4900000000-2f5aaa01239a87e8ea45	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - UDP-L-iduronate 10V, Negative-QTOF	splash10-03g3-4502290000-4f7ce7e1f9b4eebe1216	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - UDP-L-iduronate 20V, Negative-QTOF	splash10-03ec-9605020000-2d710d0bd9ce2bdec018	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - UDP-L-iduronate 40V, Negative-QTOF	splash10-08i3-4901000000-e4482078a9a42b9b8cab	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - UDP-L-iduronate 10V, Positive-QTOF	splash10-03di-1700490000-7f9159b24d34e9358740	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - UDP-L-iduronate 20V, Positive-QTOF	splash10-03di-4921760000-cd1fe2a62f343b8eb5ba	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - UDP-L-iduronate 40V, Positive-QTOF	splash10-0209-6940100000-aa916ad8a0ed15e6eb2a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - UDP-L-iduronate 10V, Negative-QTOF	splash10-004i-0001090000-c773521e9e340d5e6564	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - UDP-L-iduronate 20V, Negative-QTOF	splash10-055e-9424840000-deea5ee6888efff36f31	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - UDP-L-iduronate 40V, Negative-QTOF	splash10-0a5a-3936510000-b41af0ea55c95b9da1e1	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB028927

KNApSAcK ID

Not Available

Chemspider ID

30791427

KEGG Compound ID

C02330

BioCyc ID

CPD-223

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

15592259

PDB ID

Not Available

ChEBI ID

88243

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Puhakainen E, Hanninen O: Pyrophosphatase and glucuronosyltransferase in microsomal UDPglucuronic-acid metabolism in the rat liver. Eur J Biochem. 1976 Jan 2;61(1):165-9. [PubMed:1276 ]
Dumbrava VA, Pall ML: Control of nucleotide and erythroascorbic acid pools by cyclic AMP in Neurospora crassa. Biochim Biophys Acta. 1987 Dec 7;926(3):331-8. [PubMed:2825802 ]
Ward JB, Curtis CA: The biosynthesis and linkage of teichuronic acid to peptidoglycan in Bacillus licheniformis. Eur J Biochem. 1982 Feb;122(1):125-32. [PubMed:7060562 ]
Chowdhury JR, Jansen PL, Fischberg EB, Daniller A, Arias IM: Hepatic conversion of bilirubin monoglucuronide to diglucuronide in uridine diphosphate-glucuronyl transferase-deficient man and rat by bilirubin glucuronoside glucuronosyltransferase. J Clin Invest. 1978 Jul;62(1):191-6. [PubMed:96142 ]
Marselos M, Lang M, Torronen R: Modifications of drug metabolism by disulfiram and diethyldithiocarbamate. II. D-Glucuronic acid pathway. Chem Biol Interact. 1976 Nov;15(3):277-87. [PubMed:187353 ]
Kyossev ZN, Drake RR, Kyosseva SV, Elbein AD: Synthesis of a new photoaffinity probe, 5-azido-[32P]UDPxylose, by UDPglucuronate carboxylyase from wheat germ. Eur J Biochem. 1995 Feb 15;228(1):109-12. [PubMed:7882990 ]
Fournel S, Gregoire B, Magdalou J, Carre MC, Lafaurie C, Siest G, Caubere P: Inhibition of bilirubin UDPglucuronosyltransferase activity by triphenylacetic acid and related compounds. Biochim Biophys Acta. 1986 Sep 4;883(2):190-6. [PubMed:3091075 ]
Delzenne NM, Verbeeck RK: [Interactions of food and drug metabolism]. J Pharm Belg. 2001 Mar-Apr;56(2):33-7. [PubMed:11396348 ]
Batt AM, MacKenzie P, Hanninen O, Vainio H: Glucuronidation of 3-hydroxybenzo(a)pyrene in liver microsomes. Med Biol. 1979 Oct;57(5):281-6. [PubMed:118315 ]
Brunner G, Holloway CJ: The capillary-isotachophoretic analysis of reactants and products of glucuronidation. A new method for the assay of UDPGlucuronosyltransferase. Hoppe Seylers Z Physiol Chem. 1980 Jan;361(1):1-7. [PubMed:6102075 ]
Zakim K, Vessey DA: Regulation of microsomal enzymes by phospholipids. IX. Production of uniquely modified forms of microsomal UDP-glucuronyltransferase by treatment with phospholipase A and detergents. Biochim Biophys Acta. 1975 Nov 20;410(1):61-73. [PubMed:811261 ]
Ashurst SW, Mehta R, Cohen GM: Importance of conjugation reactions in determining the qualitative nature of polycyclic aromatic hydrocarbon-DNA interactions. Med Biol. 1979 Oct;57(5):313-20. [PubMed:522519 ]
Franzen JS, Marchetti PS, Lockhart AH, Feingold DS: Special effects of UDP-sugar binding to bovine liver uridine diphosphoglucose dehydrogenase. Biochim Biophys Acta. 1983 Aug 16;746(3):146-53. [PubMed:6882768 ]
Ordman AB, Kirkwood S: UDPglucose dehydrogenase. Kinetics and their mechanistic implications. Biochim Biophys Acta. 1977 Mar 15;481(1):25-32. [PubMed:191082 ]
Czygan P, Stiehl A, Senn M: The synthesis of bile acid glucuronides by agarose-bound UDP-glucuronyltransferase. Biochim Biophys Acta. 1980 Aug 11;619(2):228-34. [PubMed:6773582 ]
Pagni M, Lazarevic V, Soldo B, Karamata D: Assay for UDPglucose 6-dehydrogenase in phosphate-starved cells: gene tuaD of Bacillus subtilis 168 encodes the UDPglucose 6-dehydrogenase involved in teichuronic acid synthesis. Microbiology. 1999 May;145 ( Pt 5):1049-53. [PubMed:10376820 ]
Hallinan T, Pohl KR, de Brito R: Studies on the inhibition of hepatic microsomal glucuronidation by uridine nucleotides or adenosine triphosphate. Med Biol. 1979 Oct;57(5):269-73. [PubMed:118313 ]
Fyffe J, Dutton GJ: Induction of UDPglucose dehydrogenase during development, organ culture, and exposure to phenobarbital. Its relation to levels of UDPglucuronic acid and overall glucuronidation in chicken and mouse. Biochim Biophys Acta. 1975 Nov 10;411(1):41-9. [PubMed:1182203 ]
Puhakainen E, Saarinen A, Hanninen O: UDPglucuronic acid pyrophosphatase assay with the aid of alkaline phosphatase. Acta Chem Scand B. 1977 Mar;B31(2):125-9. [PubMed:848223 ]

Enzymes

Enzyme Details

1. UDP-glucuronosyltransferase 2B4

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme is active on polyhydroxylated estrogens (such as estriol, 4-hydroxyestrone and 2-hydroxyestriol) and xenobiotics (such as 4-methylumbelliferone, 1-naphthol, 4-nitrophenol, 2-aminophenol, 4-hydroxybiphenyl and menthol). It is capable of 6 alpha-hydroxyglucuronidation of hyodeoxycholic acid.
Gene Name:: UGT2B4
Uniprot ID:: P06133
Molecular weight:: 60512.035

Enzyme Details

2. UDP-glucuronosyltransferase 1-4

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate.
Gene Name:: UGT1A4
Uniprot ID:: P22310
Molecular weight:: 60024.535

Enzyme Details

3. UDP-glucuronosyltransferase 2B7

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. Its unique specificity for 3,4-catechol estrogens and estriol suggests it may play an important role in regulating the level and activity of these potent and active estrogen metabolites. Is also active with androsterone, hyodeoxycholic acid and tetrachlorocatechol (in vitro).
Gene Name:: UGT2B7
Uniprot ID:: P16662
Molecular weight:: 60720.15

Enzyme Details

4. UDP-glucuronosyltransferase 1-1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:: UGT1A1
Uniprot ID:: P22309
Molecular weight:: 59590.91

Enzyme Details

5. UDP-glucuronosyltransferase 1-9

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform has specificity for phenols.
Gene Name:: UGT1A9
Uniprot ID:: O60656
Molecular weight:: 59940.495

Enzyme Details

6. UDP-glucuronosyltransferase 1-6

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform has specificity for phenols.
Gene Name:: UGT1A6
Uniprot ID:: P19224
Molecular weight:: 60750.215

Showing metabocard for UDP-L-iduronate (HMDB0012304)

MOL for HMDB0012304 (UDP-L-iduronate)

3D MOL for HMDB0012304 (UDP-L-iduronate)

3D SDF for HMDB0012304 (UDP-L-iduronate)

3D-SDF for HMDB0012304 (UDP-L-iduronate)

PDB for HMDB0012304 (UDP-L-iduronate)

3D PDB for HMDB0012304 (UDP-L-iduronate)

SMILES for HMDB0012304 (UDP-L-iduronate)

INCHI for HMDB0012304 (UDP-L-iduronate)

Structure for HMDB0012304 (UDP-L-iduronate)

3D Structure for HMDB0012304 (UDP-L-iduronate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes