taurochenodeoxycholate

Taurochenodeoxycholic Acid A bile salt formed in the liver by conjugation of chenodeoxycholate with taurine, usually as the sodium salt. It acts as detergent to solubilize fats in the small intestine and is itself absorbed. It is used as a cholagogue and choleretic.

Molecular Formula: C₂₆H₄₄NO₆S^-

InChI: InChI=1/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/p-1/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1/fC26H44NO6S/h27H/q-1

InChIKey: InChIKey=BHTRKEVKTKCXOH-DBBRZANWDI
SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])CC[C@]4(C)[C@]([H])(CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O

Names:
    CHEBI:9407
    Chenodeoxycholoyltaurine
    Taurochenodeoxycholate
    taurochenodeoxycholate
    2-[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
    2-[[(4R)-4-[(3R,5S,7R,8S,9S,10S,13R,14S,17R)-3,7-dihydroxy-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 9548902
    ChEBI 9407
    Kegg C05465
    PubChem ID 14718481
    PubChem ID 7825