3alpha,12alpha-Dihydroxy-5beta-chola-8,14-dien-24-oic Acid

Properties Image MNX_ID MNXM28190 reference chebi:178709 formula C24H36O4 global charge 0 mol weight 388.548 InChIKey MQYPMJSEDOYFPM-UEQLBJJHSA-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/h8,14-16,18,21,25-26H,4-7,9-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,21+,23+,24-/m1/s1 SMILES C[C@H](CCC(=O)O)[C@H]1CC=C2C3=C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3 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/h8,14-16,18,21,25-26H,4-7,9-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,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][CH:8]=[C:19]2[C:17]3=[C:20]([CH2:13][C@H:21]([OH:26])[C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:11][CH2:10][C@@H:16]([OH:25])[CH2:12][C@H:15]1[CH2:5][CH2:6]3

Parent-child relations graph

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