Dinoravicholic acid

Properties Image MNX_ID MNXM155451 reference chebi:185518 formula C22H36O5 global charge 0 mol weight 380.525 InChIKey UWRHWTPWCRRHDI-ZKTFRNAESA-N InChI InChI=1S/C22H36O5/c1-11(20(26)27)19-17(25)10-15-18-14(5-7-22(15,19)3)21(2)6-4-13(23)8-12(21)9-16(18)24/h11-19,23-25H,4-10H2,1-3H3,(H,26,27)/t11-,12-,13+,14-,15-,16+,17+,18+,19-,21-,22-/m0/s1 SMILES C[C@H](C(=O)O)[C@H]1[C@H](O)C[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C22H36O5/c1-11(20(26)27)19-17(25)10-15-18-14(5-7-22(15,19)3)21(2)6-4-13(23)8-12(21)9-16(18)24/h11-19,23-25H,4-10H2,1-3H3,(H,26,27)/t11-,12-,13+,14-,15-,16+,17+,18+,19-,21-,22-/m0/s1 SMILES (mnx) [CH3:1][C@@H:11]([C@H:19]1[C@H:17]([OH:25])[CH2:10][C@H:15]2[C@H:18]3[C@H:14]([CH2:5][CH2:7][C@@:22]21[CH3:3])[C@@:21]1([CH3:2])[CH2:6][CH2:4][C@@H:13]([OH:23])[CH2:8][C@H:12]1[CH2:9][C@H:16]3[OH:24])[C:20](=[O:26])[OH:27]

Parent-child relations graph

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