7beta-Hydroxy-5beta-cholan-24-oic Acid

Properties Image MNX_ID MNXM25465 reference lipidmapsM:LMST04010012 formula C24H40O3 global charge 0 mol weight 376.581 InChIKey JVMCMMXFADJQKU-KEUPPCRPSA-N InChI InChI=1S/C24H40O3/c1-15(7-10-21(26)27)17-8-9-18-22-19(11-13-24(17,18)3)23(2)12-5-4-6-16(23)14-20(22)25/h15-20,22,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19+,20+,22+,23+,24-/m1/s1 SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C24H40O3/c1-15(7-10-21(26)27)17-8-9-18-22-19(11-13-24(17,18)3)23(2)12-5-4-6-16(23)14-20(22)25/h15-20,22,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19+,20+,22+,23+,24-/m1/s1 SMILES (mnx) [CH3:1][C@H:15]([CH2:7][CH2:10][C:21](=[O:26])[OH:27])[C@H:17]1[CH2:8][CH2:9][C@H:18]2[C@H:22]3[C@H:19]([CH2:11][CH2:13][C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:12][CH2:5][CH2:4][CH2:6][C@H:16]1[CH2:14][C@@H:20]3[OH:25]

Parent-child relations graph

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