3alpha,12alpha-Dihydroxy-5beta-cholan-24-oylglycine

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)/t15-,16+,17+,18-,19+,20-,21-,22-,25-,26+/m0/s1/f/h27,31H

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

Names:
    C04721
    2-[[(4S)-4-[(3R,5R,8S,9S,10S,12S,13R,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]pentanoyl]amino]acetic acid
    3alpha,12alpha-Dihydroxy-5beta-cholan-24-oylglycine

Registries:
    PubChem CID 440459
    PubChem ID 7293