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

MNXM819739 is deprecated and replaced by MNXM162442
PropertiesImage
MNX_IDMNXM162442 Image of MNXM162442
referencechebi:133985
formulaC18H31O4
global charge-1
mol weight311.442
InChIKeyJDSRHVWSAMTSSN-PIHGWCCBSA-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+/t17-/m1/s1
SMILESCCCCC[C@H](/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-/m1/s1 Image of MNXM162442
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:11][CH2:14][C@H: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)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133985
chebi:133985
JDSRHVWSAMTSSN-PIHGWCCBSA-M 		(13R)-hydroperoxy-(9Z,11E)-octadecadienoate
(9Z,11E,13R)-13-hydroperoxyoctadeca-9,11-dienoate
(9Z,11E,13R)-13-hydroperoxyoctadecadienoate
13(R)-HPODE(1-)

metacyc.compound:CPD-22987
metacycM:CPD-22987
JDSRHVWSAMTSSN-PIHGWCCBSA-M 		(13R)-HPODE
(9Z,11E)-(13R)-13- hydroperoxyoctadeca-9,11-dienoate

CHEBI:39573
chebi:39573
JDSRHVWSAMTSSN-PIHGWCCBSA-N 		(13R)-HPODE
(9Z,11E,13R)-13-hydroperoxyoctadeca-9,11-dienoic acid
(9Z,11E,13R)-13-hydroperoxyoctadecadienoic acid

SLM:000597688
slm:000597688
JDSRHVWSAMTSSN-PIHGWCCBSA-M 		(13R)-hydroperoxy-(9Z,11E)-octadecadienoate

sabiork.compound:30795
sabiorkM:30795
JDSRHVWSAMTSSN-PIHGWCCBSA-M 		(9Z,11E)-(13R)-13-Hydroperoxyoctadeca-9,11-dienoate
(9Z,11E,13R)-13-Hydroperoxy-9,11-octadecadienoate
13(R)-HODE
13(R)-HPODE

lipidmaps:LMFA02000329
lipidmapsM:LMFA02000329
JDSRHVWSAMTSSN-PIHGWCCBSA-N 		13R-HPODE
13R-hydroperoxy-9Z,11E-octadecadienoic acid
FA 18:2
O2