3alpha,12alpha-Dihydroxy-5beta-chol-8-en-24-oic Acid

Properties Image MNX_ID MNXM26452 reference chebi:196595 formula C24H38O4 global charge 0 mol weight 390.564 InChIKey HXPKCTFDRSEFID-UMNDTTGPSA-N InChI InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18-19,21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,19+,21+,23+,24-/m1/s1 SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3 MNX internals InChI (mnx) InChI=1/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18-19,21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,19+,21+,23+,24-/m1/s1 SMILES (mnx) [CH3:1][C@H:14]([CH2:4][CH2:9][C:22](=[O:27])[OH:28])[C@H:18]1[CH2:7][CH2:8][C@H:19]2[C:17]3=[C:20]([CH2:13][C@H:21]([OH:26])[C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:11][CH2:10][C@@H:16]([OH:25])[CH2:12][C@H:15]1[CH2:5][CH2:6]3

Parent-child relations graph

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