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9-hydroperoxy-(10E,12Z)-octadecadienoate

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1364097

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₁₈H₃₁O₄

charge

-1

mass

311.442

reference

chebi:146293

InChIKey

JGUNZIWGNMQSBM-ZJHFMPGASA-M

InChI

InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b8-6-,14-11+

SMILES

[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:8]\[CH:11]=[CH:14]\[CH:17]([CH2:15][CH2:12][CH2:9][CH2:7][CH2:10][CH2:13][CH2:16][C:18](=[O:19])[OH:20])[O:22][OH:21]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:146293 chebi:146293	9-hydroperoxy-(10E,12Z)-octadecadienoate 9-HPODE(1-) 9-hydroperoxy-(10E,12Z)-octadecadienoate(1-)
CHEBI:177850 chebi:177850	(10E,12Z)-9-Hydroperoxy-10,12-octadecadienoic acid (+/-)9-HpODE (10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid
metacyc.compound:CPD-13768 metacycM:CPD-13768	(9R)-HPODE (9R,10E,12Z)-9-hydroperoxy-10,12-octadecadienoate (9R,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate
metacyc.compound:CPD-8677 metacycM:CPD-8677	(9S)-HPODE (9S)-HPOD (9S,10E,12Z)-9-hydroperoxy-10,12-octadecadienoate 9(S)-hydroperoxy-10(E),12(Z)-octadecadienoate 9(S)-hydroperoxy-10(E),12(Z)-octadecadienoic acid
hmdb:HMDB0006940	9(S)-HPODE (10E,12Z)-9-Hydroperoxyoctadeca-10,12-dienoate (10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid 9(S)-hpode
metacyc.compound:9-HPODE metacycM:9-HPODE	9-HpODE (+/-)9-HpODE (10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate 9-hydroperoxy-(10E,12Z)-octadecadienoate
hmdb:HMDB06940	secondary/obsolete/fantasy identifier