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A-12(13)-EpODE

PropertiesImage
MNX_IDMNXM9679 Image of MNXM9679
referencechebi:88462
formulaC18H30O3
global charge0
mol weight294.435
InChIKeyBKKGUKSHPCTUGE-OOHFSOINSA-N
InChIInChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20)/b10-3-,11-8-
SMILESCC/C=C\CC1OC1C/C=C\CCCCCCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20)/b10-3-,11-8-/t16?,17? Image of MNXM9679
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:10]\[CH2:13][CH:16]1[CH: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)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:88462
chebi:88462
BKKGUKSHPCTUGE-OOHFSOINSA-N 		A-12(13)-EpODE
(9Z)-11-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid
(Z)-11-[3-[(Z)-pent-2-enyl]oxiran-2-yl]undec-9-enoate
(Z)-11-[3-[(Z)-pent-2-enyl]oxiran-2-yl]undec-9-enoic acid
12(13)-Epoxy-9Z,15Z-octadecadienoate
12(13)-Epoxy-9Z,15Z-octadecadienoic acid
alpha-12(13)-EpODE

metacyc.compound:CPD-13090
metacycM:CPD-13090
BKKGUKSHPCTUGE-OOHFSOINSA-M 		(9Z,15Z)-12,13-epoxy-octadeca-9,15-dienoate
(9Z,15Z)-12,13-epoxy-octadeca-9,15-dienoic acid
(9Z,15Z)-12,13-epoxy-octadecadienoate
A-12(13)-EpODE

seed.compound:cpd23730
seedM:cpd23730
BKKGUKSHPCTUGE-OOHFSOINSA-M 		12,13-epoxyoctadeca-9,15-dienoate
(9Z,15Z)-12,13-epoxy-octadeca-9,15-dienoate
(9Z,15Z)-12,13-epoxy-octadeca-9,15-dienoic acid
(9Z,15Z)-12,13-epoxy-octadecadienoate
12,13-epoxyoctadeca-9,15-dienoic acid
hmdb:HMDB0010200
BKKGUKSHPCTUGE-OOHFSOINSA-N 		A-12(13)-EpODE
(9Z)-11-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid
(Z)-11-[3-[(Z)-Pent-2-enyl]oxiran-2-yl]undec-9-enoate
(Z)-11-[3-[(Z)-Pent-2-enyl]oxiran-2-yl]undec-9-enoic acid
12(13)-Epoxy-9Z,15Z-octadecadienoate
12(13)-Epoxy-9Z,15Z-octadecadienoic acid
a-12(13)-Epode
alpha-12(13)-EpODE
alpha-12(13)-epode

lipidmaps:LMFA02000040
lipidmapsM:LMFA02000040
BKKGUKSHPCTUGE-OOHFSOINSA-N 		alpha-12(13)-EpODE
12(13)-epoxy-9Z,15Z-octadecadienoic acid
FA 18:3
O

hmdb:HMDB10200
seedM:M_cpd23730 		secondary/obsolete/fantasy identifier