5beta-Chola-8(14),11-dien-24-oic Acid

Properties Image MNX_ID MNXM28648 reference chebi:188238 formula C24H36O2 global charge 0 mol weight 356.55 InChIKey IFYQGXDHHNLPLR-LVARZUFQSA-N InChI InChI=1S/C24H36O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h13,15-17,19,21H,4-12,14H2,1-3H3,(H,25,26)/t16-,17+,19-,21+,23+,24-/m1/s1 SMILES C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4CCCC[C@]4(C)[C@H]3C=C[C@@]21C MNX internals InChI (mnx) InChI=1/C24H36O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h13,15-17,19,21H,4-12,14H2,1-3H3,(H,25,26)/t16-,17+,19-,21+,23+,24-/m1/s1 SMILES (mnx) [CH3:1][C@H:16]([CH2:7][CH2:12][C:22](=[O:25])[OH:26])[C@H:19]1[CH2:10][CH2:11][C:20]2=[C:18]3[CH2:9][CH2:8][C@@H:17]4[CH2:6][CH2:4][CH2:5][CH2:14][C@:23]4([CH3:2])[C@H:21]3[CH:13]=[CH:15][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