3alpha,12beta-Dihydroxy-5beta-chola-7,9(11)-dien-24-oic Acid

Properties Image MNX_ID MNXM25244 reference chebi:178703 formula C24H36O4 global charge 0 mol weight 388.548 InChIKey MHMJDFLOHGJHIJ-JWBKYCAUSA-N InChI InChI=1S/C24H36O4/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/h6,13-16,18-19,21,25-26H,4-5,7-12H2,1-3H3,(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=CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=C[C@@H](O)[C@]12C MNX internals InChI (mnx) InChI=1/C24H36O4/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/h6,13-16,18-19,21,25-26H,4-5,7-12H2,1-3H3,(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=[CH:6][CH2:5][C@@H:15]4[CH2:12][C@H:16]([OH:25])[CH2:10][CH2:11][C@:23]4([CH3:2])[C:20]3=[CH:13][C@@H:21]([OH:26])[C@:24]12[CH3:3]

Parent-child relations graph

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