sodium glycocholate

Glycocholic Acid The glycine conjugate of CHOLIC ACID. It acts as a detergent to solubilize fats for absorption and is itself absorbed.

[1. a normal constituent of bile of humans and herbivores; glycocholate sodium from herbivores is purified and used as a choleretic and cholagogue.

Molecular Formula: C₂₆H₄₂NNaO₆

InChI: InChI=1/C26H43NO6.Na/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1/fC26H42NO6.Na/h27H;/q-1;m

InChIKey: InChIKey=OABYVIYXWMZFFJ-GOAXGKBEDL
SMILES: [Na+].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@]([H])(CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O

CAS number 863-57-0

Names:
    CHEBI:36273
    Glycocholate sodium salt
    Glycocholate sodium
    glycocholate sodium
    glycocholate sodium salt
    Glycocholic acid sodium salt
    glycocholic acid sodium salt
    Monosodium glycocholic acid
    monosodium glycocholic acid
    N-choloylglycine, monosodium salt
    Sodium glycocholate
    sodium glycocholate
    sodium N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycinate
    sodium 2-[[(4R)-4-[(3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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]acetate
    863-57-0

Registries:
    PubChem CID 2734705
    Beilstein =3854517
    CAS 863-57-0 (from NIST)
    ChEBI 36273
    PubChem ID 14718170