TAUROLITHOCHOLIC ACID

Taurolithocholic Acid 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: C₂₆H₄₅NO₅S

InChI: InChI=1/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)/t17u,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1/f/h27,30H

InChIKey: InChIKey=QBYUNVOYXHFVKC-ZXLRPPFVDV
SMILES: CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

Names:
    Ethanesulfonic acid, 2-(((3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl)amino)-
    Ethanesulfonic acid, 2-(((3-alpha,5-beta)-3-hydroxy-24-oxocholan-24-yl)amino)-
    Lithocholic acid taurine conjugate
    Lithocholyltaurine
    Taurine, N-(3-alpha-hydroxy-5-beta-cholan-24-oyl)- (8CI)
    Taurolithocholic acid (6CI,7CI)
    TAUROLITHOCHOLIC ACID
    2-(((3-alpha,5-beta)-3-Hydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid
    2-[4-[(3R,5R,8S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid
    516-90-5
    6042-32-6

Registries:
    PubChem CID 10595
    PubChem ID 153887