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

MNXM732014 is deprecated and here replaced by MNXM1105885
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1105885 Image of MNXM1105885
referencechebi:60955
formulaC18H31O4
global charge-1
mol weight311.442
InChIKeyJGUNZIWGNMQSBM-UINYOVNOSA-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+/t17-/m1/s1
SMILESCCCCC/C=C\C=C\[C@H](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-/m1/s1 Image of MNXM1105885
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:8]\[CH:11]=[CH:14]\[C@H: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)13
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60955
chebi:60955
JGUNZIWGNMQSBM-UINYOVNOSA-M 		(9S)-hydroperoxy-(10E,12Z)-octadecadienoate
(10E,12Z)-(9S)-9-hydroperoxyoctadeca-10,12-dienoate
(9S,10E,12Z)-9-hydroperoxy-10,12-octadecadienoate
(9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate
9(S)-HPOD(1-)
9(S)-HPODE(1-)
hmdb:HMDB0062434
JGUNZIWGNMQSBM-UINYOVNOSA-N 		(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid
(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoate
(9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoate
(9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoic acid
(9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid
(9S,10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecadienoic acid
9(S)-HPOD
9-HPODE
9-HpODE
9-Hydroperoxy-11,12-octadecadienoic acid
9-Hydroperoxy-11,12-octadecadienoic acid, (Z,e)-isomer
9-Hydroperoxy-11,12-octadecadienoic acid, (e,Z)-isomer

metacyc.compound:CPD-8677
metacycM:CPD-8677
JGUNZIWGNMQSBM-UINYOVNOSA-M 		(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

SLM:000000934
slm:000000934
JGUNZIWGNMQSBM-UINYOVNOSA-M 		(9S)-hydroperoxy-(10E,12Z)-octadecadienoate
(9S)-Hp-(10E,12Z)-ODE
(9S)-HpODE
hmdb:HMDB0303982
JGUNZIWGNMQSBM-UINYOVNOSA-M 		(9S,10E,12Z)-9-hydroperoxy-10,12-octadecadienoate
(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoate
(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid
(9S)-Hydroperoxy-(10E,12Z)-octadecadienoate
(9S)-Hydroperoxy-(10E,12Z)-octadecadienoic acid
(9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoate
(9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoic acid
(9S,10E,12Z)-9-Hydroperoxyoctadeca-10,12-dienoate
(9S,10E,12Z)-9-Hydroperoxyoctadeca-10,12-dienoic acid
(9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate
9(S)-HPOD(1-)

kegg.compound:C14827
keggC:C14827
JGUNZIWGNMQSBM-UINYOVNOSA-N 		9(S)-HPODE
(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid
(9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoate
9(S)-HPOD

CHEBI:34498
chebi:34498
JGUNZIWGNMQSBM-UINYOVNOSA-N 		9(S)-HPODE
(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid
(9S,10E,12Z)-9-hydroperoxy-10,12-octadecadienoic acid
(9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid
9(S)-HPOD
9(S)-HpODE

sabiork.compound:22074
sabiorkM:22074
JGUNZIWGNMQSBM-UINYOVNOSA-N 		9(S)-HPODE
(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid
9(S)-HPOD

vmhM:M01217
vmhmetabolite:M01217
JGUNZIWGNMQSBM-UINYOVNOSA-M 		9(S)-HPODE
(10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid

seed.compound:cpd10524
seedM:cpd10524
JGUNZIWGNMQSBM-UINYOVNOSA-M 		9(S)-HPOD
(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid
(9S)-HPOD
(9S)-HPODE
(9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoate
(9S,10E,12Z)-9-hydroperoxy-10,12-octadecadienoate
9(S)-HPODE
9(S)-hydroperoxy-10(E),12(Z)-octadecadienoate
9(S)-hydroperoxy-10(E),12(Z)-octadecadienoic acid
9-HPOD

lipidmaps:LMFA02000012
lipidmapsM:LMFA02000012
JGUNZIWGNMQSBM-UINYOVNOSA-N 		9S-HpODE
9-HpODE
9S-hydroperoxy-10E,12Z-octadecadienoic acid
FA 18:2
O2

hmdb:HMDB62434
keggC:M_C14827
seedM:M_cpd10524
vmhM:M_M01217 		secondary/obsolete/fantasy identifier