**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

methyl (9R,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate

Properties Image MNX_ID MNXM747825 reference chebi:145036 formula C19H34O4 global charge 0 mol weight 326.477 InChIKey NAIVAZYIMZYEHW-GJHUJFKISA-N InChI InChI=1S/C19H34O4/c1-3-4-5-6-7-9-12-15-18(23-21)16-13-10-8-11-14-17-19(20)22-2/h7,9,12,15,18,21H,3-6,8,10-11,13-14,16-17H2,1-2H3/b9-7-,15-12+/t18-/m0/s1 SMILES CCCCC/C=C\C=C\[C@@H](CCCCCCCC(=O)OC)OO MNX internals InChI (mnx) InChI=1/C19H34O4/c1-3-4-5-6-7-9-12-15-18(23-21)16-13-10-8-11-14-17-19(20)22-2/h7,9,12,15,18,21H,3-6,8,10-11,13-14,16-17H2,1-2H3/b9-7-,15-12+/t18-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:9]\[CH:12]=[CH:15]\[C@@H:18]([CH2:16][CH2:13][CH2:10][CH2:8][CH2:11][CH2:14][CH2:17][C:19](=[O:20])[O:22][CH3:2])[O:23][OH:21]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
CHEBI:145036 chebi:145036 NAIVAZYIMZYEHW-GJHUJFKISA-N	methyl (9R,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate 1-O-methyl-(9R)-hydroperoxy-(10E,12Z)-octadecadienoate 9R-HPODE methyl ester 9R-hydroperoxy-(10E,12Z)-octadecadienoic acid methyl ester