Nor-beta-muricholic acid

Properties Image MNX_ID MNXM158771 reference chebi:185583 formula C23H38O5 global charge 0 mol weight 394.552 InChIKey MKGBMQFRNGPURO-FGKJBDTKSA-N InChI InChI=1S/C23H38O5/c1-12(10-18(25)26)14-4-5-15-19-16(7-9-22(14,15)2)23(3)8-6-13(24)11-17(23)20(27)21(19)28/h12-17,19-21,24,27-28H,4-11H2,1-3H3,(H,25,26)/t12-,13-,14-,15+,16+,17+,19+,20+,21-,22-,23-/m1/s1 SMILES C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C23H38O5/c1-12(10-18(25)26)14-4-5-15-19-16(7-9-22(14,15)2)23(3)8-6-13(24)11-17(23)20(27)21(19)28/h12-17,19-21,24,27-28H,4-11H2,1-3H3,(H,25,26)/t12-,13-,14-,15+,16+,17+,19+,20+,21-,22-,23-/m1/s1 SMILES (mnx) [CH3:1][C@H:12]([CH2:10][C:18](=[O:25])[OH:26])[C@H:14]1[CH2:4][CH2:5][C@H:15]2[C@H:19]3[C@H:16]([CH2:7][CH2:9][C@:22]12[CH3:2])[C@@:23]1([CH3:3])[CH2:8][CH2:6][C@@H:13]([OH:24])[CH2:11][C@H:17]1[C@H:20]([OH:27])[C@@H:21]3[OH:28]

Parent-child relations graph

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