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Substance Name: Sulfolithocholic acid
RN: 34669-57-3
UNII: 0ENK5NMI1I
InChIKey: AXDXVEYHEODSPN-HVATVPOCSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C24-H40-O6-S

Molecular Weight

  • 456.64
 
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Names and Synonyms

Name of Substance

  • Sulfolithocholic acid

Synonyms

  • Lithocholic acid 3-alpha-sulfate
  • Sulfolithocholic acid
  • UNII-0ENK5NMI1I

Systematic Name

  • Cholan-24-oic acid, 3-(sulfooxy)-, (3a-alpha,5-beta)-

Registry Numbers

CAS Registry Number

  • 34669-57-3

FDA UNII

  • 0ENK5NMI1I

System Generated Number

  • 0034669573

Structure Descriptors

InChI

1S/C24H40O6S/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21H,4-14H2,1-3H3,(H,25,26)(H,27,28,29)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1

InChIKey

AXDXVEYHEODSPN-HVATVPOCSA-N

Smiles

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)C