2beta,3beta-Dihydroxy-6-oxo-5alpha-chol-7-en-24-oic acid

Properties Image MNX_ID MNXM23476 reference chebi:166703 formula C24H36O5 global charge 0 mol weight 404.547 InChIKey ZDXZWIJQXLMLBZ-ZGHMVHKCSA-N InChI InChI=1S/C24H36O5/c1-13(4-7-22(28)29)15-5-6-16-14-10-19(25)18-11-20(26)21(27)12-24(18,3)17(14)8-9-23(15,16)2/h10,13,15-18,20-21,26-27H,4-9,11-12H2,1-3H3,(H,28,29)/t13-,15-,16+,17+,18-,20-,21+,23-,24-/m1/s1 SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C24H36O5/c1-13(4-7-22(28)29)15-5-6-16-14-10-19(25)18-11-20(26)21(27)12-24(18,3)17(14)8-9-23(15,16)2/h10,13,15-18,20-21,26-27H,4-9,11-12H2,1-3H3,(H,28,29)/t13-,15-,16+,17+,18-,20-,21+,23-,24-/m1/s1 SMILES (mnx) [CH3:1][C@H:13]([CH2:4][CH2:7][C:22](=[O:28])[OH:29])[C@H:15]1[CH2:5][CH2:6][C@H:16]2[C:14]3=[CH:10][C:19](=[O:25])[C@H:18]4[CH2:11][C@@H:20]([OH:26])[C@@H:21]([OH:27])[CH2:12][C@:24]4([CH3:3])[C@H:17]3[CH2:8][CH2:9][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