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

MNXM1867 is deprecated and here replaced by MNXM1094914
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1094914 Image of MNXM1094914
referencechebi:146293
formulaC18H31O4
global charge-1
mol weight311.442
InChIKeyJGUNZIWGNMQSBM-ZJHFMPGASA-M
InChIInChI=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+
SMILESCCCCC/C=C\C=C\C(CCCCCCCC(=O)[O-])OO
MNX internals
InChI (mnx)InChI=1/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)/b8-6-,14-11+/t17? Image of MNXM1094914
SMILES (mnx)[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
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:146293
chebi:146293
JGUNZIWGNMQSBM-ZJHFMPGASA-M 		9-hydroperoxy-(10E,12Z)-octadecadienoate
9-HPODE(1-)
9-hydroperoxy-(10E,12Z)-octadecadienoate(1-)

CHEBI:177850
chebi:177850
JGUNZIWGNMQSBM-ZJHFMPGASA-N 		(10E,12Z)-9-Hydroperoxy-10,12-octadecadienoic acid
(+/-)9-HpODE
(10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid
hmdb:HMDB0006940
JGUNZIWGNMQSBM-ZJHFMPGASA-N 		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
JGUNZIWGNMQSBM-ZJHFMPGASA-M 		9-HpODE
(+/-)9-HpODE
(10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate
9-hydroperoxy-(10E,12Z)-octadecadienoate

hmdb:HMDB06940 		secondary/obsolete/fantasy identifier