DEOXYCHOLIC ACID

Deoxycholic Acid A bile acid formed by bacterial action from cholate. It is usually conjugated with glycine or taurine. Deoxycholic acid acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent.

[1. A salt or ester of deoxycholic acid.

Molecular Formula: C₂₄H₄₀O₄

InChI: InChI=1/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24u/m1/s1/f/h27H

InChIKey: InChIKey=KXGVEGMKQFWNSR-RSZHYYCEDS
SMILES: CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

Names:
    C04483
    deoxycholate
    DEOXYCHOLIC ACID
    (4R)-4-[(3R,5R,8S,9S,10S,12S,14S,17R)-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]pentanoic acid
    3alpha,12alpha-Dihydroxy-5beta-cholanate
    3alpha,12alpha-Dihydroxy-5beta-cholanic acid
    83-44-3

Registries:
    PubChem CID 440355
    PubChem ID 7102