(5E)-13,14-dihydro-PGB2

Properties Image MNX_ID MNXM1130489 reference lipidmapsM:LMFA03010236 formula C20H32O4 global charge 0 mol weight 336.472 InChIKey JCDDULLUNTZPSY-PFWMLDTASA-N InChI InChI=1S/C20H32O4/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/h4,7,17,21H,2-3,5-6,8-15H2,1H3,(H,23,24)/b7-4+/t17-/m0/s1 SMILES CCCCC[C@H](O)CCC1=C(C/C=C/CCCC(=O)O)C(=O)CC1 MNX internals InChI (mnx) InChI=1/C20H32O4/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/h4,7,17,21H,2-3,5-6,8-15H2,1H3,(H,23,24)/b7-4+/t17-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C@@H:17]([CH2:14][CH2:12][C:16]1=[C:18]([CH2:10]/[CH:7]=[CH:4]/[CH2:5][CH2:8][CH2:11][C:20](=[O:23])[OH:24])[C:19](=[O:22])[CH2:15][CH2:13]1)[OH:21]

Parent-child relations graph

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