3beta-hydroxy-4alpha-methyl-5alpha-cholest-7-ene-4beta-carboxylic acid

Properties Image MNX_ID MNXM36966 reference chebi:20244 formula C29H48O3 global charge 0 mol weight 444.7 InChIKey UQFZKTIHSICSPG-HBQODBAGSA-N InChI InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h10,18-19,21-25,30H,7-9,11-17H2,1-6H3,(H,31,32)/t19-,21-,22+,23+,24-,25+,27-,28-,29-/m1/s1 SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@](C)(CC[C@H](O)[C@]4(C)C(=O)O)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h10,18-19,21-25,30H,7-9,11-17H2,1-6H3,(H,31,32)/t19-,21-,22+,23+,24-,25+,27-,28-,29-/m1/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[CH2:8][CH2:7][CH2:9][C@@H:19]([CH3:3])[C@H:21]1[CH2:11][CH2:12][C@H:22]2[C:20]3=[CH:10][CH2:13][C@@H:24]4[C@:28]([CH3:5])([CH2:17][CH2:15][C@H:25]([OH:30])[C@:29]4([CH3:6])[C:26](=[O:31])[OH:32])[C@H:23]3[CH2:14][CH2:16][C@:27]12[CH3:4]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0