15alpha-Hydroxy-5beta-cholan-24-oic Acid

Properties Image MNX_ID MNXM25579 reference lipidmapsM:LMST04010343 formula C24H40O3 global charge 0 mol weight 376.581 InChIKey KXIKKNSMKRZLPY-AIJOBLPRSA-N InChI InChI=1S/C24H40O3/c1-15(7-10-21(26)27)19-14-20(25)22-17-9-8-16-6-4-5-12-23(16,2)18(17)11-13-24(19,22)3/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]1C[C@H](O)[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C MNX internals InChI (mnx) InChI=1/C24H40O3/c1-15(7-10-21(26)27)19-14-20(25)22-17-9-8-16-6-4-5-12-23(16,2)18(17)11-13-24(19,22)3/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:19]1[CH2:14][C@H:20]([OH:25])[C@H:22]2[C@@H:17]3[CH2:9][CH2:8][C@@H:16]4[CH2:6][CH2:4][CH2:5][CH2:12][C@:23]4([CH3:2])[C@H:18]3[CH2:11][CH2:13][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