9-Deoxy-delta12-PGD2

Properties Image MNX_ID MNXM151627 reference chebi:175297 formula C20H32O4 global charge 0 mol weight 336.472 InChIKey JTEYGOLPGOYFJI-GJGHEGAFSA-N InChI InChI=1S/C20H32O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,14,16-17,21H,2-3,5-6,8-13,15H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1 SMILES CCCCC[C@H](O)C/C=C1/C(=O)CC[C@@H]1C/C=C\CCCC(=O)O MNX internals InChI (mnx) InChI=1/C20H32O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,14,16-17,21H,2-3,5-6,8-13,15H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:6][CH2:10][C@@H:17]([CH2:13]/[CH:14]=[C:18]1\[C@@H:16]([CH2:9]/[CH:7]=[CH:4]\[CH2:5][CH2:8][CH2:11][C:20](=[O:23])[OH:24])[CH2:12][CH2:15][C:19]1=[O:22])[OH:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 4