(8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoate

Properties Image MNX_ID MNXM146328 reference chebi:75346 formula C18H31O4 global charge -1 mol weight 311.442 InChIKey YONQBPOWOZLKHS-NDTUJAEZSA-M InChI InChI=1S/C18H32O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h8,11-12,15,17,21H,2-7,9-10,13-14,16H2,1H3,(H,19,20)/p-1/b11-8-,15-12+/t17-/m0/s1 SMILES CCCCC/C=C\C[C@@H](/C=C/CCCCCCC(=O)[O-])OO MNX internals InChI (mnx) InChI=1/C18H32O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h8,11-12,15,17,21H,2-7,9-10,13-14,16H2,1H3,(H,19,20)/b11-8-,15-12+/t17-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:8]=[CH:11]\[CH2:14][C@@H:17](/[CH:15]=[CH:12]/[CH2:9][CH2:6][CH2:7][CH2:10][CH2:13][CH2:16][C:18](=[O:19])[OH:20])[O:22][OH:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0