Glycodesoxycholic acid

PubChem Notes:

Glycodeoxycholic Acid A bile salt formed in the liver by conjugation of deoxycholate with glycine, usually as the sodium salt. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and choleretic.

Molecular Formula: C26H45NO4


InChI: InChI=1/C26H45NO4/c1-16(5-4-12-27-15-24(30)31)20-8-9-21-19-7-6-17-13-18(28)10-11-25(17,2)22(19)14-23(29)26(20,21)3/h16-23,27-29H,4-15H2,1-3H3,(H,30,31)/t16u,17-,18-,19u,20u,21u,22u,23+,25-,26-/m1/s1/f/h30H

InChIKey: InChIKey=SJBHFAAZLAILHS-QRQYDKSSDK
SMILES: CC(CCCNCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

Names:
    Deoxycholic acid glycine conjugate
    Deoxycholylglycine
    Glycine, N-((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)-
    GLYCINE, N-(3-alpha,12-alpha-DIHYDROXY-5-beta-CHOLAN-24-YL)-
    glycodeoxycholic acid
    Glycodesoxycholic acid
    Glykodesoxycholsaeure [German]
    N-((3-alpha,5-beta,12-alpha)-3,12-Dihydroxy-24-oxocholan-24-yl)-glycine (9CI)
    2-[4-[(3R,5R,10R,12S,13R)-3,12-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]pentylamino]acetic acid
    360-65-6
    5-beta-Cholan-24-oic acid, glycodeoxy-

Registries:
    PubChem CID 9675
    PubChem ID 152887