(22E)-3beta-hydroxy-5alpha-chola-7,22-dien-24-oic acid

Properties Image MNX_ID MNXM27550 reference chebi:137786 formula C24H36O3 global charge 0 mol weight 372.549 InChIKey NNOXLBZOLJVTCY-DKFALFPQSA-N InChI InChI=1S/C24H36O3/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/h4,6,9,15-17,19-21,25H,5,7-8,10-14H2,1-3H3,(H,26,27)/b9-4+/t15-,16+,17+,19-,20+,21+,23+,24-/m1/s1 SMILES C[C@H](/C=C/C(=O)O)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C24H36O3/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/h4,6,9,15-17,19-21,25H,5,7-8,10-14H2,1-3H3,(H,26,27)/b9-4+/t15-,16+,17+,19-,20+,21+,23+,24-/m1/s1 SMILES (mnx) [CH3:1][C@H:15](/[CH:4]=[CH:9]/[C:22](=[O:26])[OH:27])[C@H:19]1[CH2:7][CH2:8][C@H:20]2[C:18]3=[CH:6][CH2:5][C@H:16]4[CH2:14][C@@H:17]([OH:25])[CH2:10][CH2:12][C@:23]4([CH3:2])[C@H:21]3[CH2:11][CH2:13][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