3beta,19-Dihydroxychol-5-en-24-oic Acid

Properties Image MNX_ID MNXM29259 reference chebi:196593 formula C24H38O4 global charge 0 mol weight 390.564 InChIKey DRRSNCIMGYJXBW-PABOKLNHSA-N InChI InChI=1S/C24H38O4/c1-15(3-8-22(27)28)19-6-7-20-18-5-4-16-13-17(26)9-12-24(16,14-25)21(18)10-11-23(19,20)2/h4,15,17-21,25-26H,3,5-14H2,1-2H3,(H,27,28)/t15-,17+,18+,19-,20+,21+,23-,24-/m1/s1 SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C24H38O4/c1-15(3-8-22(27)28)19-6-7-20-18-5-4-16-13-17(26)9-12-24(16,14-25)21(18)10-11-23(19,20)2/h4,15,17-21,25-26H,3,5-14H2,1-2H3,(H,27,28)/t15-,17+,18+,19-,20+,21+,23-,24-/m1/s1 SMILES (mnx) [CH3:1][C@H:15]([CH2:3][CH2:8][C:22](=[O:27])[OH:28])[C@H:19]1[CH2:6][CH2:7][C@H:20]2[C@@H:18]3[CH2:5][CH:4]=[C:16]4[CH2:13][C@@H:17]([OH:26])[CH2:9][CH2:12][C@:24]4([CH2:14][OH:25])[C@H:21]3[CH2:10][CH2:11][C@:23]12[CH3:2]

Parent-child relations graph

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