(20S)-3beta-Hydroxy-5alpha-cholan-24-oic Acid

Properties Image MNX_ID MNXM28067 reference lipidmapsM:LMST04010323 formula C24H40O3 global charge 0 mol weight 376.581 InChIKey SMEROWZSTRWXGI-AOUCNHLBSA-N InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18-,19+,20-,21-,23-,24+/m0/s1 SMILES C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18-,19+,20-,21-,23-,24+/m0/s1 SMILES (mnx) [CH3:1][C@@H:15]([CH2:4][CH2:9][C:22](=[O:26])[OH:27])[C@H:19]1[CH2:7][CH2:8][C@H:20]2[C@@H:18]3[CH2:6][CH2:5][C@H:16]4[CH2:14][C@@H:17]([OH:25])[CH2:10][CH2:12][C@:23]4([CH3:2])[C@H:21]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