Glycodeoxycholate

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: C26H43NO5


InChI: InChI=1/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15u,16u,17-,18u,19u,20u,21u,22+,25+,26-/m1/s1/f/h27,31H

InChIKey: InChIKey=WVULKSPCQVQLCU-JTJKXJHWDH
SMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

Names:
    C05464
    Glycodeoxycholate
    2-[4-[(3R,10S,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]pentanoylamino]acetic acid

Registries:
    PubChem CID 440688
    PubChem ID 7824