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(12R,13S)-epoxy-(9Z)-octadecenoate

PropertiesImage
MNX_IDMNXM91839 Image of MNXM91839
referencechebi:194416
formulaC18H31O3
global charge-1
mol weight295.443
InChIKeyCCPPLLJZDQAOHD-BEBBCNLGSA-M
InChIInChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/p-1/b11-8-/t16-,17+/m0/s1
SMILESCCCCC[C@@H]1O[C@@H]1C/C=C\CCCCCCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m0/s1 Image of MNXM91839
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:10][CH2:13][C@H:16]1[C@@H:17]([CH2:14]/[CH:11]=[CH:8]\[CH2:6][CH2:4][CH2:5][CH2:7][CH2:9][CH2:12][CH2:15][C:18](=[O:19])[OH:20])[O:21]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 8
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:194416
chebi:194416
CCPPLLJZDQAOHD-BEBBCNLGSA-M 		(12R,13S)-epoxy-(9Z)-octadecenoate
(-)-12(R),13(S)-vernolate
(-)-vernolate
(-)-vernolic acid anion
(-)-vernolic acid(1-)
(9Z)-(12R,13S)-12,13-epoxyoctadecenoate
(9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoate
12R(13S)-epoxy-(9Z)-octadecenoate

lipidmaps:LMFA02000456
lipidmapsM:LMFA02000456
CCPPLLJZDQAOHD-FLIBITNWSA-N 		(+/-)12(13)-EpOME-d4
(+/-)12(13)-epoxy-9Z-octadecenoic-9,10,12,13-d4 acid
(+/-)12,13-EODE-d4
Vernolic acid-d4
isoleukotoxin-d4

metacyc.compound:CPD-14397
metacycM:CPD-14397
CCPPLLJZDQAOHD-BEBBCNLGSA-M 		(-)-vernolate
(+)-vernolic acid
(12R,13S)-vernolate
(9Z)-(12R,13S)-12,13-epoxyoctadecenoate
(9Z)-(12R,13S)-12,13-epoxyoctadecenoic acid(9Z)-(12S,13R)-12,13-epoxyoctadecenoic acid

CHEBI:38300
chebi:38300
CCPPLLJZDQAOHD-BEBBCNLGSA-N 		(-)-vernolic acid
(-)-12(R),13(S)-vernolic acid
(-)-Vernolsaeure
(-)-leukotoxin B
(12R,13S)-(9Z)-12,13-Epoxyoctadecenoic acid
(9Z)-(12R,13S)-12,13-epoxyoctadecenoic acid
(9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid
12,13-epoxylinoleic acid
Vernolic acid
cis-12,13-Epoxy-cis-9-octadecenoic acid
cis-12S,13R,-ep, 9c-18:1

bigg.metabolite:C14826
biggM:C14826
seed.compound:cpd10523
seedM:cpd10523
CCPPLLJZDQAOHD-BEBBCNLGSA-N 		12(13)-EpOME

lipidmaps:LMFA02000038
lipidmapsM:LMFA02000038
CCPPLLJZDQAOHD-FLIBITNWSA-N 		12(13)-EpOME
(+/-)-12(13)-epoxy-9Z-octadecenoic acid
FA 18:2
O
Vernolic acid
isoleukotoxin

sabiork.compound:22073
sabiorkM:22073
kegg.compound:C14826
keggC:C14826
CCPPLLJZDQAOHD-BEBBCNLGSA-N
CCPPLLJZDQAOHD-FLIBITNWSA-N 		12(13)-EpOME
(12R,13S)-(9Z)-12,13-Epoxyoctadecenoic acid

vmhM:C14826
vmhmetabolite:C14826
CCPPLLJZDQAOHD-BEBBCNLGSA-M 		12(13)-EpOME
(9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid
hmdb:HMDB0004702
CCPPLLJZDQAOHD-FLIBITNWSA-N 		12,13-EpOME
(+/-)-12(13)-epoxy-9Z-octadecenoate
(+/-)-12(13)-epoxy-9Z-octadecenoic acid
(9Z)-11-(3-Pentyloxiran-2-yl)undec-9-enoate
(9Z)-11-(3-Pentyloxiran-2-yl)undec-9-enoic acid
(9Z)-11-(3-Pentyloxiran-2-yl)undec-9-enoic acids
(9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid
(9Z)-12,13-Epoxyoctadecenoate
(9Z)-12,13-Epoxyoctadecenoic acid
12(13)-EpOME
12,13-EOA
12,13-Epoxy-9(Z)-octadecenoate
12,13-Epoxy-9(Z)-octadecenoic acid
12,13-Epoxy-9-octadecenoic acid
12,13-Epoxy-cis-9-octadecenoate
12,13-Epoxy-cis-9-octadecenoic acid
12,13-Epoxyoctadec-9(Z)-enoate
12,13-Epoxyoctadec-9(Z)-enoic acid
12,13-Monoepoxy-cis-9-octadecenoate
12,13-Monoepoxy-cis-9-octadecenoic acid
12,13-cis-Epoxyoctadecenoate
12,13-cis-Epoxyoctadecenoic acid
Acide vernolique
Vernolate
Vernoleate
Vernolic acid
Vernolic acids
Vernolsaeure
Vernolsaeuren
cis-12,13-Ep, 9C-18:1
cis-12,13-Epoxy-9-octadecenoate
cis-12,13-Epoxy-9-octadecenoic acid
cis-12-Epoxyoctadeca-cis-9-enoate
cis-12-Epoxyoctadeca-cis-9-enoic acid
vernolic acid

CHEBI:84026
chebi:84026
CCPPLLJZDQAOHD-FLIBITNWSA-M 		12,13-epoxy-(9Z)-octadecenoate
(9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
12,13-EpOME(1-)
vernolate

SLM:000501361
slm:000501361
CCPPLLJZDQAOHD-FLIBITNWSA-M 		12,13-epoxy-(9Z)-octadecenoate
12,13-epoxyoleate

seed.compound:cpd05280
seedM:cpd05280
CCPPLLJZDQAOHD-BEBBCNLGSA-M 		Vernolic acid
(-)-vernolate
(12R,13S)-(9Z)-12,13-Epoxyoctadecenoic acid
(12R,13S)-vernolate
(9Z)-(12R,13S)-12,13-epoxyoctadecenoate
(9Z)-(12R,13S)-12,13-epoxyoctadecenoic acid(9Z)-(12S,13R)-12,13-epoxyoctadecenoic acid
(9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid
12(13)-EpOME
cis-12,13-Epoxy-cis-9-octadecenoic acid
vernolate
vernolic acid

kegg.compound:C08368
keggC:C08368
CCPPLLJZDQAOHD-BEBBCNLGSA-N 		Vernolic acid
(9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid
cis-12,13-Epoxy-cis-9-octadecenoic acid

metacyc.compound:Vernolates
metacycM:Vernolates
CCPPLLJZDQAOHD-FLIBITNWSA-M 		vernolate
(+/-)12(13)-EpOME
(+/-)vernolate
(9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid
(9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acids
(9Z)-12,13-epoxyoctadecenoic acid
12(13)-EpOME
12,13-cis-epoxyoctadecenoic acid
12,13-epoxy-9-cis-octadecenoate
12,13-epoxy-9-cis-octadecenoic acid
cis-12,13-ep, 9c-18:1
cis-12,13-epoxy-9-octadecenoic acid
isoleukotoxin
vernolic acid

CHEBI:38299
chebi:38299
CCPPLLJZDQAOHD-FLIBITNWSA-N 		vernolic acid
(9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid
(9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acids
(9Z)-12,13-epoxyoctadecenoic acid
12(13)-EpOME
12,13-cis-epoxyoctadecenoic acid
12,13-epoxy-9(Z)-octadecenoic acid
12,13-epoxy-cis-9-octadecenoic acid
12,13-monoepoxy-cis-9-octadecenoic acid
Vernolsaeure
Vernolsaeuren
acide vernolique
cis-12,13-ep, 9c-18:1
cis-12,13-epoxy-9-octadecenoic acid
vernolic acids

hmdb:HMDB04702
biggM:M_C14826
keggC:M_C08368
keggC:M_C14826
seedM:M_cpd05280
seedM:M_cpd10523
vmhM:M_C14826 		secondary/obsolete/fantasy identifier