Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Taurolithocholic acid
RN: 516-90-5
InChIKey: QBYUNVOYXHFVKC-JIOVCDOMSA-N

Note

  • A bile salt formed in the liver from lithocholic acid conjugation with taurine, usually as the sodium salt. It solubilizes fats for absorption and is itself absorbed. It is a cholagogue and choleretic.

Molecular Formula

  • C26-H45-N-O5-S

Molecular Weight

  • 483.71
 

Classification Codes

  • Cholagogues and Choleretics
  • Detergents
  • Gastrointestinal Agents
  • Mutation Data
  • Surface-Active Agents
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Taurolithocholic acid

MeSH Heading

  • Taurolithocholic acid

Synonyms

  • 2-(((3-alpha,5-beta)-3-Hydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid
  • Lithocholic acid taurine conjugate
  • Lithocholyltaurine
  • Taurolithocholic acid

Systematic Names

  • Ethanesulfonic acid, 2-(((3-alpha,5-beta)-3-hydroxy-24-oxocholan-24-yl)amino)-
  • Ethanesulfonic acid, 2-(((3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl)amino)-
  • Taurine, N-(3-alpha-hydroxy-5-beta-cholan-24-oyl)- (8CI)
  • Taurolithocholic acid (6CI,7CI)

Registry Numbers

CAS Registry Number

  • 516-90-5

Related Registry Number

  • 6042-32-6 (mono-hydrochloride salt)

System Generated Number

  • 0000516905

Structure Descriptors

InChI

1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17?,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1

InChIKey

QBYUNVOYXHFVKC-JIOVCDOMSA-N

Smiles

C1[C@H]2[C@H]3[C@@H]([C@@]4([C@@H](C[C@H](O)CC4)CC3)C)CC[C@@]2([C@H]([C@@H](CCC(NCCS(O)(=O)=O)=O)C)C1)C