3-Oxo-5beta-chola-8(14),11-dien-24-oic Acid

Properties Image MNX_ID MNXM29454 reference chebi:179986 formula C24H34O3 global charge 0 mol weight 370.533 InChIKey ZMSHFWQIVBSXGN-RQEZFVBVSA-N InChI InChI=1S/C24H34O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h11,13,15-16,19,21H,4-10,12,14H2,1-3H3,(H,26,27)/t15-,16-,19-,21+,23+,24-/m1/s1 SMILES C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@@]21C MNX internals InChI (mnx) InChI=1/C24H34O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h11,13,15-16,19,21H,4-10,12,14H2,1-3H3,(H,26,27)/t15-,16-,19-,21+,23+,24-/m1/s1 SMILES (mnx) [CH3:1][C@H:15]([CH2:4][CH2:9][C:22](=[O:26])[OH:27])[C@H:19]1[CH2:7][CH2:8][C:20]2=[C:18]3[CH2:6][CH2:5][C@@H:16]4[CH2:14][C:17](=[O:25])[CH2:10][CH2:12][C@:23]4([CH3:2])[C@H:21]3[CH:11]=[CH:13][C@:24]12[CH3:3]

Parent-child relations graph

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