3alpha,7alpha,12alpha,23R-tetrahydroxy-5beta-cholan-24-oic acid

Properties Image MNX_ID MNXM36898 reference lipidmapsM:LMST04030212 formula C24H40O6 global charge 0 mol weight 424.578 InChIKey UJYLRDMHTJWIQW-VNOUJWGASA-N InChI InChI=1S/C24H40O6/c1-12(8-19(27)22(29)30)15-4-5-16-21-17(11-20(28)24(15,16)3)23(2)7-6-14(25)9-13(23)10-18(21)26/h12-21,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13-,14-,15-,16+,17+,18-,19-,20+,21+,23+,24-/m1/s1 SMILES C[C@H](C[C@@H](O)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C MNX internals InChI (mnx) InChI=1/C24H40O6/c1-12(8-19(27)22(29)30)15-4-5-16-21-17(11-20(28)24(15,16)3)23(2)7-6-14(25)9-13(23)10-18(21)26/h12-21,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13-,14-,15-,16+,17+,18-,19-,20+,21+,23+,24-/m1/s1 SMILES (mnx) [CH3:1][C@H:12]([CH2:8][C@H:19]([C:22](=[O:29])[OH:30])[OH:27])[C@H:15]1[CH2:4][CH2:5][C@H:16]2[C@H:21]3[C@H:17]([CH2:11][C@H:20]([OH:28])[C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:7][CH2:6][C@@H:14]([OH:25])[CH2:9][C@@H:13]1[CH2:10][C@H:18]3[OH:26]

Parent-child relations graph

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