glycochenodeoxycholic acid

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)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1/f/h27,31H

InChIKey: InChIKey=GHCZAUBVMUEKKP-WFTJTOAUDN
SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])CC[C@]4(C)[C@]([H])(CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC(O)=O

CAS number 640-79-9

Names:
    chenodeoxycholylglycine
    glycine chenodeoxycholate
    Glycochenodeoxycholate
    GLYCOCHENODEOXYCHOLIC ACID
    glycochenodeoxycholic acid
    NCI60_028901
    2-[[(4R)-4-[(3R,5S,7R,8S,9S,10S,13R,14S,17R)-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]pentanoyl]amino]acetic acid

Registries:
    PubChem CID 12544
    Beilstein =3226177
    CAS 640-79-9 (from NIST)
    ChEBI 36274
    chemPDB CHO
    Kegg C05466
    PubChem ID 11433253
    PubChem ID 7826