Taurolithocholic acid

PubChem Notes:

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: C26H44NO5S-


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)/p-1/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1/fC26H44NO5S/h27H/q-1

InChIKey: InChIKey=QBYUNVOYXHFVKC-QAXROMDIDO
SMILES: [H][[email protected]]12CC[[email protected]@]3([H])[[email protected]]4([H])CC[[email protected]]([H])([[email protected]](C)CCC(=O)NCCS([O-])(=O)=O)[[email protected]@]4(C)CC[[email protected]]3([H])[[email protected]@]1(C)CC[[email protected]@H](O)C2

Names:
    CHEBI:17179
    Taurolithocholate
    taurolithocholate
    Taurolithocholic acid
    2-[(3alpha-hydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
    2-[[(4R)-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]pentanoyl]amino]ethanesulfonate

Registries:
    PubChem CID 9548567
    ChEBI 17179
    Kegg C02592
    PubChem ID 5584
    PubChem ID 8143664