Chenodeoxyglycocholate

Molecular Formula: C26H43NO5


InChI: InChI=1/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15u,16-,17+,18u,19u,20u,21+,24u,25-,26+/m0/s1/f/h27,31H

InChIKey: InChIKey=GHCZAUBVMUEKKP-NJWRSFHTDD
SMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

Names:
    Chenodeoxyglycocholate
    C05462
    2-[4-[(3R,5S,7R,10S,13R)-3,7-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 440686
    PubChem ID 7822