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(11S)-hydroperoxy-(9Z,12Z)-octadecadienoate

MNXM819835 is deprecated and replaced by MNXM4154
PropertiesImage
MNX_IDMNXM4154 Image of MNXM4154
referencechebi:57467
formulaC18H31O4
global charge-1
mol weight311.442
InChIKeyPLWDMWAXENHPLY-PDBSFCERSA-M
InChIInChI=1S/C18H32O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h11-12,14-15,17,21H,2-10,13,16H2,1H3,(H,19,20)/p-1/b14-11-,15-12-/t17-/m0/s1
SMILESCCCCC/C=C\[C@@H](/C=C\CCCCCCCC(=O)[O-])OO
MNX internals
InChI (mnx)InChI=1/C18H32O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h11-12,14-15,17,21H,2-10,13,16H2,1H3,(H,19,20)/b14-11-,15-12-/t17-/m0/s1 Image of MNXM4154
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:8]/[CH:11]=[CH:14]\[C@@H:17](/[CH:15]=[CH:12]\[CH2:9][CH2:6][CH2:5][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)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57467
chebi:57467
PLWDMWAXENHPLY-PDBSFCERSA-M 		(11S)-hydroperoxy-(9Z,12Z)-octadecadienoate
(11S)-11-hydroperoxylinoleate
(11S)-11-hydroperoxylinoleate anion
(9Z,11S,12Z)-11-hydroperoxyoctadeca-9,12-dienoate

CHEBI:15657
chebi:15657
PLWDMWAXENHPLY-PDBSFCERSA-N 		(11S)-11-hydroperoxylinoleic acid
(9Z,11S,12Z)-11-hydroperoxyoctadeca-9,12-dienoic acid
(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoate
(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid

metacyc.compound:CPD0-2064
metacycM:CPD0-2064
PLWDMWAXENHPLY-PDBSFCERSA-M 		(11S)-HPODE
(11S)-11-hydroperoxylinoleate
(11S)-11-hydroperoxylinoleic acid
(9Z,11S,12Z)-11-hydroperoxyoctadeca-9,12-dienoate
(9Z,12Z)-(11S)-11-hydroperoxyoctadeca-9,12-dienoate

SLM:000597687
slm:000597687
PLWDMWAXENHPLY-PDBSFCERSA-M 		(11S)-hydroperoxy-(9Z,12Z)-octadecadienoate

seed.compound:cpd04541
seedM:cpd04541
PLWDMWAXENHPLY-PDBSFCERSA-M 		(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoate
(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid
(9Z,12Z)-(11S)-11-hydroperoxyoctadeca-9,12-dienoate
11-hydroperoxyoctadeca-9,12-dienoic acid

sabiork.compound:9448
sabiorkM:9448
PLWDMWAXENHPLY-PDBSFCERSA-N 		(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoate
11(S)-HPODE

kegg.compound:C07338
keggC:C07338
PLWDMWAXENHPLY-PDBSFCERSA-N 		(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid
(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoate

bigg.metabolite:CE6415
biggM:CE6415
PLWDMWAXENHPLY-PDBSFCERSA-M 		11-HpODE
hmdb:HMDB0062281
PLWDMWAXENHPLY-PDBSFCERSA-N 		11-HpODE
(11S)-11-Hydroperoxylinoleate
(9Z,11S,12Z)-11-Hydroperoxyoctadeca-9,12-dienoate
(9Z,11S,12Z)-11-Hydroperoxyoctadeca-9,12-dienoic acid
(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoate
(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid

vmhM:CE6415
vmhmetabolite:CE6415
PLWDMWAXENHPLY-PDBSFCERSA-M 		11-HpODE
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

lipidmaps:LMFA02000115
lipidmapsM:LMFA02000115
PLWDMWAXENHPLY-PDBSFCERSA-N 		11S-HpODE
(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid
11-HpODE
11S-hydroperoxy-9Z,12Z-octadecadienoic acid
FA 18:2
O2

seed.compound:cpd26401
seedM:cpd26401
PLWDMWAXENHPLY-PDBSFCERSA-M 		linoleic acid hydroperoxide
(11S)-11-hydroperoxylinoleate
(11S)-11-hydroperoxylinoleic acid
(9Z,11S,12Z)-11-hydroperoxyoctadeca-9,12-dienoate

hmdb:HMDB62281
chebi:10943
chebi:266
biggM:M_CE6415
keggC:M_C07338
seedM:M_cpd04541
seedM:M_cpd26401
vmhM:M_CE6415 		secondary/obsolete/fantasy identifier