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Substance Name: Sodium lithocholate
RN: 13284-86-1
InChIKey: AECTYFQKWPXOSR-DGMAEHPPSA-M

Note

  • A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic.

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C24-H39-O3.Na

Molecular Weight

  • 398.5591
 
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Names and Synonyms

Results Name

  • Sodium lithocholate

Synonyms

  • CCRIS 4046
  • Sodium lithocholate

Systematic Names

  • 5-beta-Cholan-24-oic acid, 3-alpha-hydroxy-, monosodium salt
  • Cholan-24-oic acid, 3-hydroxy-, monosodium salt, (3-alpha,5-beta)- (9CI)
  • Sodium lithocholate

Registry Numbers

CAS Registry Number

  • 13284-86-1

System Generated Number

  • 0013284861

Molecular Formulas

Molecular Formula

  • C24-H39-O3.Na

Molecular Formula Fragments

  • C24-H39-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H40O3.Na/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3;/h15-21,25H,4-14H2,1-3H3,(H,26,27);/q;+1/p-1/t15-,16-,17-,18+,19-,20+,21+,23+,24-;/m1./s1

InChIKey

AECTYFQKWPXOSR-DGMAEHPPSA-M

Smiles

[Na+].C1[C@H](C[C@H]2CC[C@@H]3[C@@H]4CC[C@@H]([C@@H](CCC(=O)[O-])C)[C@@]4(C)CC[C@@H]3[C@@]2(C1)C)O