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

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(6Z,9Z,12Z)-octadecatrienoate

	Properties	Image
MNX_ID	MNXM3995
reference	chebi:32391
formula	C₁₈H₂₉O₂
global charge	-1
mol weight	277.428
InChIKey	VZCCETWTMQHEPK-QNEBEIHSSA-M
InChI	InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/p-1/b7-6-,10-9-,13-12-
SMILES	CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-
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]\[CH2:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[OH:20]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	55
in models (compartimentalized)	14

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32391 chebi:32391 VZCCETWTMQHEPK-QNEBEIHSSA-M	(6Z,9Z,12Z)-octadecatrienoate (6,9,12)-linolenate (6Z,9Z,12Z)-octadeca-6,9,12-trienoate 6-cis,9-cis,12-cis-octadecatrienoate all-cis-6,9,12-octadecatrienoate cis-Delta(6,9,12)-octadecatrienoate gamma-linolenate gamolenate
kegg.compound:C06426 keggC:C06426 VZCCETWTMQHEPK-QNEBEIHSSA-N	(6Z,9Z,12Z)-Octadecatrienoic acid 6,9,12-Octadecatrienoic acid Gamolenic acid gamma-Linolenic acid
SLM:000001103 slm:000001103 VZCCETWTMQHEPK-QNEBEIHSSA-M	(6Z,9Z,12Z)-octadecatrienoate 18:3(6Z,9Z,12Z)
bigg.metabolite:lnlncg biggM:lnlncg VZCCETWTMQHEPK-QNEBEIHSSA-M	Gamma-linolenic acid
kegg.drug:D07213 keggD:D07213 VZCCETWTMQHEPK-QNEBEIHSSA-N	Gamolenic acid (INN)
seed.compound:cpd03849 seedM:cpd03849 VZCCETWTMQHEPK-QNEBEIHSSA-M	Gamolenic acid (6,9,12)-linolenate (6,9,12)-linolenoic acid (6Z,9Z,12Z)-Octadecatrienoic acid (6Z,9Z,12Z)-octadeca-6,9,12-trienoate 6,9,12-Octadecatrienoic acid 6Z,9Z,12Z-octadecatrienoate 6Z,9Z,12Z-octadecatrienoic acid gamma-Linolenic acid gamma-linolenate gamma-linolenic acid
hmdb:HMDB0003073 VZCCETWTMQHEPK-QNEBEIHSSA-N	gamma-Linolenic acid (6,9,12)-Linolenate (6,9,12)-Linolenic acid (6Z,9Z,12Z)-6,9,12-Octadecatrienoic acid (6Z,9Z,12Z)-Octadecatrienoate (6Z,9Z,12Z)-Octadecatrienoic acid (6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid (Z,Z,Z)-6,9,12-Octadecatrienoate (Z,Z,Z)-6,9,12-Octadecatrienoic acid (Z,Z,Z)-6,9,12-Octatrienoic acid 18:3 (N-6) 6(Z),9(Z),12(Z)-Octadecatrienoate 6(Z),9(Z),12(Z)-Octadecatrienoic acid 6,9,12-Octadecatrienoate 6,9,12-Octadecatrienoic acid 6,9,12-all-cis-Octadecatrienoate 6,9,12-all-cis-Octadecatrienoic acid 6-cis,9-cis,12-cis-Octadecatrienoate 6-cis,9-cis,12-cis-Octadecatrienoic acid 6Z,9Z,12Z-Octadecatrienoate 6Z,9Z,12Z-Octadecatrienoic acid Acid, gamma-linolenic Acid, gamolenic C18:3 (N-6) C18:3, N-6,9,12 all-cis FA(18:3(6Z,9Z,12Z)) FA(18:3n6) GLA Gamoleate Gamoleic acid Gamolenate Gamolenic acid Ligla Linolenate Octadeca-6,9,12-triensaeure all-cis-6,9,12-Octadecatrienoate all-cis-6,9,12-Octadecatrienoic acid cis,cis,cis-6,9,12-Octadecatrienoic acid cis-6,cis-9,cis-12-Octadecatrienoic acid cis-Delta(6,9,12)-Octadecatrienoic acid cis-delta(6,9,12)-Octadecatrienoate cis-delta(6,9,12)-octadecatrienoate cis-delta(6,9,12)-octadecatrienoic acid g-Linolenate g-Linolenic acid g-Linolensaeure gamma Linolenic acid gamma linolenic acid gamma-Linolenate gamma-Linolensaeure gamma-Llnolenic acid gamma-linolenate gamma-linolenic acid gamma-linolensaeure
sabiork.compound:2892 sabiorkM:2892 VZCCETWTMQHEPK-QNEBEIHSSA-N	gamma-Linolenic acid 6,9,12-Octadecatrienoic acid
lipidmaps:LMFA01030141 lipidmapsM:LMFA01030141 VZCCETWTMQHEPK-QNEBEIHSSA-N	gamma-Linolenic acid 6Z,9Z,12Z-octadecatrienoic acid C18:3n-6,9,12 FA 18:3 GLA Gammolenic acid Gamolenic acid cis-6, cis-9, cis-12-octadecatrienoic acid
metacyc.compound:CPD-8117 metacycM:CPD-8117 VZCCETWTMQHEPK-QNEBEIHSSA-M	gamma-linolenate (6,9,12)-linolenate (6,9,12)-linolenoic acid (6Z,9Z,12Z)-octadeca-6,9,12-trienoate 6Z,9Z,12Z-octadecatrienoate 6Z,9Z,12Z-octadecatrienoic acid gamma-linolenic acid
vmhM:lnlncg vmhmetabolite:lnlncg VZCCETWTMQHEPK-QNEBEIHSSA-M	gamma-linolenate (6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid
reactome:R-ALL-400528 reactomeM:R-ALL-400528 CHEBI:28661 chebi:28661 VZCCETWTMQHEPK-QNEBEIHSSA-N	gamma-linolenic acid (6,9,12)-linolenic acid (6Z,9Z,12Z)-Octadecatrienoic acid (6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid (Z,Z,Z)-6,9,12-octadecatrienoic acid 18:3 (n-6) 6,9,12-Octadecatrienoic acid 6-cis,9-cis,12-cis-octadecatrienoic acid C18:3 (n-6) C18:3, n-6,9,12 all-cis GLA Gamolenic acid Octadeca-6,9,12-triensaeure all-cis-6,9,12-octadecatrienoic acid cis-Delta(6,9,12)-octadecatrienoic acid gamma-Linolenic acid gamma-Linolensaeure gamoleic acid gamolenic acid
hmdb:HMDB03073 chebi:10573 chebi:24197 biggM:M_lnlncg keggC:M_C06426 keggD:M_D07213 seedM:M_cpd03849 vmhM:M_lnlncg	secondary/obsolete/fantasy identifier