12-Oxo-5beta-cholan-24-oic Acid

Properties Image MNX_ID MNXM25499 reference lipidmapsM:LMST04010132 formula C24H38O3 global charge 0 mol weight 374.565 InChIKey RVGVSOKFBAOUCH-LDTZHDHYSA-N InChI InChI=1S/C24H38O3/c1-15(7-12-22(26)27)18-10-11-19-17-9-8-16-6-4-5-13-23(16,2)20(17)14-21(25)24(18,19)3/h15-20H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17+,18-,19+,20+,23+,24-/m1/s1 SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@]12C MNX internals InChI (mnx) InChI=1/C24H38O3/c1-15(7-12-22(26)27)18-10-11-19-17-9-8-16-6-4-5-13-23(16,2)20(17)14-21(25)24(18,19)3/h15-20H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17+,18-,19+,20+,23+,24-/m1/s1 SMILES (mnx) [CH3:1][C@H:15]([CH2:7][CH2:12][C:22](=[O:26])[OH:27])[C@H:18]1[CH2:10][CH2:11][C@H:19]2[C@@H:17]3[CH2:9][CH2:8][C@@H:16]4[CH2:6][CH2:4][CH2:5][CH2:13][C@:23]4([CH3:2])[C@H:20]3[CH2:14][C:21](=[O:25])[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