11-deoxy-PGF1beta

Properties Image MNX_ID MNXM33118 reference chebi:168703 formula C20H36O4 global charge 0 mol weight 340.504 InChIKey HYBPXYQCXNOTFK-JLNUFZAQSA-N InChI InChI=1S/C20H36O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-19,21-22H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+,19+/m0/s1 SMILES CCCCC[C@H](O)/C=C/[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(=O)O MNX internals InChI (mnx) InChI=1/C20H36O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-19,21-22H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+,19+/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C@@H:17](/[CH:14]=[CH:12]/[C@H:16]1[CH2:13][CH2:15][C@@H:19]([OH:22])[C@@H:18]1[CH2:10][CH2:7][CH2:4][CH2:5][CH2:8][CH2:11][C:20](=[O:23])[OH:24])[OH:21]

Parent-child relations graph

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