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13-hydroperoxy-(9Z,11E)-octadecadienoate

MNXM731158 is deprecated and here replaced by MNXM1104178
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104178 Image of MNXM1104178
referencechebi:90823
formulaC18H31O4
global charge-1
mol weight311.442
InChIKeyJDSRHVWSAMTSSN-BSZOFBHHSA-M
InChIInChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/p-1/b9-7-,15-12+
SMILESCCCCCC(/C=C/C=C\CCCCCCCC(=O)[O-])OO
MNX internals
InChI (mnx)InChI=1/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17? Image of MNXM1104178
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:11][CH2:14][CH:17](/[CH:15]=[CH:12]/[CH:9]=[CH:7]\[CH2:5][CH2:4][CH2:6][CH2:8][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) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:90823
chebi:90823
JDSRHVWSAMTSSN-BSZOFBHHSA-M 		13-hydroperoxy-(9Z,11E)-octadecadienoate
(9Z,11E)-13-hydroperoxyoctadeca-9,11-dienoate
13-HPODE(1-)

CHEBI:91272
chebi:91272
JDSRHVWSAMTSSN-BSZOFBHHSA-N 		13-HPODE
(9Z,11E)-13-hydroperoxyoctadeca-9,11-dienoic acid
13-Hpod
13-Hydroperoxy-9,11-octadecadienoic acid
13-Hydroperoxyoctadeca-cis-9,trans-11-dienoic acid
13-hydroperoxy-(9Z,11E)-octadecadienoic acid

sabiork.compound:30786
sabiorkM:30786
JDSRHVWSAMTSSN-BSZOFBHHSA-N 		13-HPODE
13-Hydroperoxylinoleic acid
13-Hydroperoxyoctadecadienoic acid

metacyc.compound:13-HPODE
metacycM:13-HPODE
JDSRHVWSAMTSSN-BSZOFBHHSA-M 		13-HpODE
(+/-)13-HpODE
(9Z,11E)-13- hydroperoxyoctadeca-9,11-dienoate
(9Z,11E)-13-hydroperoxyoctadecadienoate
13-hydroperoxy-(9Z,11E)-octadecadienoate

SLM:000501147
slm:000501147
JDSRHVWSAMTSSN-BSZOFBHHSA-M 		13-hydroperoxy-(9Z,11E)-octadecadienoate
13-Hp-(9Z,11E)-ODE
13-HpODE