methyl 9,16-dihydroperoxy-10E,12,14E-octadecatrienoate

Properties Image MNX_ID MNXM29464 reference lipidmapsM:LMFA01040045 formula C19H32O6 global charge 0 mol weight 356.459 InChIKey UCGDFIITNRZSQM-CQKWMTPNSA-N InChI InChI=1S/C19H32O6/c1-3-17(24-21)13-9-7-8-11-15-18(25-22)14-10-5-4-6-12-16-19(20)23-2/h7-9,11,13,15,17-18,21-22H,3-6,10,12,14,16H2,1-2H3/b8-7+,13-9+,15-11+ SMILES CCC(/C=C/C=C/C=C/C(CCCCCCCC(=O)OC)OO)OO MNX internals InChI (mnx) InChI=1/C19H32O6/c1-3-17(24-21)13-9-7-8-11-15-18(25-22)14-10-5-4-6-12-16-19(20)23-2/h7-9,11,13,15,17-18,21-22H,3-6,10,12,14,16H2,1-2H3/b8-7+,13-9+,15-11+/t17?,18? SMILES (mnx) [CH3:1][CH2:3][CH:17](/[CH:13]=[CH:9]/[CH:7]=[CH:8]/[CH:11]=[CH:15]/[CH:18]([CH2:14][CH2:10][CH2:5][CH2:4][CH2:6][CH2:12][CH2:16][C:19](=[O:20])[O:23][CH3:2])[O:25][OH:22])[O:24][OH:21]

Parent-child relations graph

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