N-choloylglycine

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

[1. one of the major bile acid conjugates, formed by condensation of the —COOH group of cholic acid and the amino group of glycine; water-soluble and a powerful detergent.

Molecular Formula: C₂₆H₄₃NO₆

InChI: InChI=1/C26H43NO6/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)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1/f/h27,32H

InChIKey: InChIKey=RFDAIACWWDREDC-LGRGVCHPDV
SMILES: [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 475-31-0

Names:
    Glycocholate
    Glycocholic acid
    GLYCOCHOLIC ACID
    glycocholic acid
    N-choloylglycine
    N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine
    Prestwick_768
    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]acetic acid
    3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine
    3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oylglycine
    3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine
    3α,7α,12α-trihydroxy-5β-cholan-24-oylglycine
    475-31-0

Registries:
    PubChem CID 10140
    Beilstein =2955826
    CAS 475-31-0 (from NIST)
    ChEBI 17687
    chemPDB GCH
    Kegg C01921
    LIPID MAPS LMST05030001
    PubChem ID 10321717
    PubChem ID 5027