MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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5,6-epoxy-(8Z,11Z,14Z)-eicosatrienoate

	Properties	Image
MNX_ID	MNXM6120
reference	chebi:131992
formula	C₂₀H₃₁O₃
global charge	-1
mol weight	319.465
InChIKey	VBQNSZQZRAGRIX-QNEBEIHSSA-M
InChI	InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,13-12-
SMILES	CCCCC/C=C\C/C=C\C/C=C\CC1OC1CCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-/t18?,19?
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:15][CH:18]1[CH:19]([CH2:16][CH2:14][CH2:17][C:20](=[O:21])[OH:22])[O:23]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	8

Similar chemical compounds in external resources
Identifier	Description
CHEBI:131992 chebi:131992 VBQNSZQZRAGRIX-QNEBEIHSSA-M	5,6-epoxy-(8Z,11Z,14Z)-eicosatrienoate 4-{3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trien-1-yl]oxiran-2-yl}butanoate 5,6-EET(1-) 5,6-EpETrE 5,6-epoxy-(8Z,11Z,14Z)-icosatrienoate
lipidmaps:LMFA03080026 lipidmapsM:LMFA03080026 VBQNSZQZRAGRIX-QNEBEIHSSA-N	(+/-)5,6-EpETrE-d11 (+/-)5(6)-epoxy-8Z,11Z,14Z-eicosatrienoic-16,16,17,17,18,18,19,19,20,20,20-d11 5(6)-EET-d11
lipidmaps:LMFA03080002 lipidmapsM:LMFA03080002 VBQNSZQZRAGRIX-QNEBEIHSSA-N	(+/-)5,6-EpETrE 5,6-EET 5,6-epoxy-8Z,11Z,14Z-eicosatrienoic acid FA 20:4 O
bigg.metabolite:C14768 biggM:C14768 VBQNSZQZRAGRIX-QNEBEIHSSA-N	5,6-EET
metacyc.compound:CPD-20540 metacycM:CPD-20540 VBQNSZQZRAGRIX-QNEBEIHSSA-M	5,6-EET (+/-)5,6-EET 4-{3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trien-1-yl]oxiran-2-yl}butanoate 5,6-epoxyarachidonate
reactome:R-ALL-2142739 reactomeM:R-ALL-2142739 reactome:R-ALL-215087 reactomeM:R-ALL-215087 CHEBI:34450 chebi:34450 VBQNSZQZRAGRIX-QNEBEIHSSA-N	5,6-EET (+/-)5,6-EpETrE (8Z,11Z,14Z)-5,6-Epoxyeicosa-8,11,14-trienoic acid (8Z,11Z,14Z)-5,6-Epoxyicosa-8,11,14-trienoic acid 4-{3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trien-1-yl]oxiran-2-yl}butanoic acid 5,6-EpETrE 5,6-Epoxy-8,11,14-eicosatrienoic acid 5,6-epoxy-8,11,14-icosatrienoic acid 5,6-epoxy-8Z,11Z,14Z-eicosatrienoic acid 5,6-epoxy-8Z,11Z,14Z-icosatrienoic acid
kegg.compound:C14768 keggC:C14768 VBQNSZQZRAGRIX-QNEBEIHSSA-N	5,6-EET (8Z,11Z,14Z)-5,6-Epoxyeicosa-8,11,14-trienoic acid (8Z,11Z,14Z)-5,6-Epoxyicosa-8,11,14-trienoic acid
seed.compound:cpd10465 seedM:cpd10465 VBQNSZQZRAGRIX-QNEBEIHSSA-M	5,6-EET (8Z,11Z,14Z)-5,6-Epoxyeicosa-8,11,14-trienoic acid (8Z,11Z,14Z)-5,6-Epoxyicosa-8,11,14-trienoic acid 4-{3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trien-1-yl]oxiran-2-yl}butanoate 5,6-epoxyarachidonate
sabiork.compound:22019 sabiorkM:22019 VBQNSZQZRAGRIX-QNEBEIHSSA-N	5,6-EET (8Z,11Z,14Z)-5,6-Epoxyeicosa-8,11,14-trienoic acid (8Z,11Z,14Z)-5,6-Epoxyicosa-8,11,14-trienoic acid 5,6-Epoxy-8Z,11Z,14Z-eicosatrienoic acid
vmhM:C14768 vmhmetabolite:C14768 VBQNSZQZRAGRIX-QNEBEIHSSA-M	5,6-EET 4-{3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trien-1-yl]oxiran-2-yl}butanoic acid
hmdb:HMDB0002190 VBQNSZQZRAGRIX-QNEBEIHSSA-N	5,6-Epoxy-8,11,14-eicosatrienoic acid (+/-)5,6-epetre (8Z,11Z,14Z)-5,6-Epoxyeicosa-8,11,14-trienoate (8Z,11Z,14Z)-5,6-Epoxyeicosa-8,11,14-trienoic acid (8Z,11Z,14Z)-5,6-Epoxyicosa-8,11,14-trienoate (8Z,11Z,14Z)-5,6-Epoxyicosa-8,11,14-trienoic acid 4-{3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trien-1-yl]oxiran-2-yl}butanoic acid 5(6)-Oxido-8,11,14-eicosatrienoic acid 5(6)-Oxidoeicosatrienoic acid 5(6)Epoxyeicosatrienoic acid 5(6)epoxyeicosatrienoic acid 5,6-Eet 5,6-EpETrE 5,6-Epoxy-8,11,14-eicosatrienoate 5,6-Epoxy-8,11,14-eicosatrienoic acid, (2alpha,3alpha(2Z,5Z,8Z))-isomer 5,6-Epoxy-8,11,14-icosatrienoate 5,6-Epoxy-8,11,14-icosatrienoic acid 5,6-Epoxy-8Z,11Z,14Z-eicosatrienoate 5,6-Epoxy-8Z,11Z,14Z-eicosatrienoic acid 5,6-Epoxy-8Z,11Z,14Z-icosatrienoate 5,6-Epoxy-8Z,11Z,14Z-icosatrienoic acid
SLM:000501492 slm:000501492 VBQNSZQZRAGRIX-QNEBEIHSSA-M	5,6-epoxy-(8Z,11Z,14Z)-eicosatrienoate 5,6-Ep-(8Z,11Z,14Z)-ETrE 5,6-EpETrE
hmdb:HMDB02190 chebi:63973 biggM:M_C14768 keggC:M_C14768 seedM:M_cpd10465 vmhM:M_C14768	secondary/obsolete/fantasy identifier