3alpha,7beta,12alpha-Trihydroxy-6-oxo-5alpha-cholan-24-oic Acid

Properties Image MNX_ID MNXM29193 reference chebi:169387 formula C24H38O6 global charge 0 mol weight 422.562 InChIKey MUKLYGDZYBKLNY-KKJTVWOLSA-N InChI InChI=1S/C24H38O6/c1-12(4-7-19(27)28)14-5-6-15-20-16(11-18(26)24(14,15)3)23(2)9-8-13(25)10-17(23)21(29)22(20)30/h12-18,20,22,25-26,30H,4-11H2,1-3H3,(H,27,28)/t12-,13-,14-,15+,16+,17-,18+,20+,22-,23-,24-/m1/s1 SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C MNX internals InChI (mnx) InChI=1/C24H38O6/c1-12(4-7-19(27)28)14-5-6-15-20-16(11-18(26)24(14,15)3)23(2)9-8-13(25)10-17(23)21(29)22(20)30/h12-18,20,22,25-26,30H,4-11H2,1-3H3,(H,27,28)/t12-,13-,14-,15+,16+,17-,18+,20+,22-,23-,24-/m1/s1 SMILES (mnx) [CH3:1][C@H:12]([CH2:4][CH2:7][C:19](=[O:27])[OH:28])[C@H:14]1[CH2:5][CH2:6][C@H:15]2[C@H:20]3[C@H:16]([CH2:11][C@H:18]([OH:26])[C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:9][CH2:8][C@@H:13]([OH:25])[CH2:10][C@@H:17]1[C:21](=[O:29])[C@@H:22]3[OH:30]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0