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

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(9Z,12Z,15Z)-octadecatrienoate

	Properties	Image
MNX_ID	MNXM1108303
reference	chebi:32387
formula	C₁₈H₂₉O₂
global charge	-1
mol weight	277.428
InChIKey	DTOSIQBPPRVQHS-PDBXOOCHSA-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/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/p-1/b4-3-,7-6-,10-9-
SMILES	CC/C=C\C/C=C\C/C=C\CCCCCCCC(=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/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
SMILES (mnx)	[CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:12][CH2:13][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)	81
in models (compartimentalized)	23

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32387 chebi:32387 DTOSIQBPPRVQHS-PDBXOOCHSA-M	(9Z,12Z,15Z)-octadecatrienoate (9,12,15)-linolenate (9Z,12Z,15Z)-octadeca-9,12,15-trienoate all-cis--9,12,15-octadecatrienoate alpha-linolenate cis,cis,cis-9,12,15-octadecatrienoate linolenate
kegg.compound:C06427 keggC:C06427 DTOSIQBPPRVQHS-PDBXOOCHSA-N	(9Z,12Z,15Z)-Octadecatrienoic acid 9,12,15-Octadecatrienoic acid Linolenate alpha-Linolenate alpha-Linolenic acid
SLM:000001101 slm:000001101 DTOSIQBPPRVQHS-PDBXOOCHSA-M	(9Z,12Z,15Z)-octadecatrienoate 18:3(9Z,12Z,15Z) Alpha-linoleate
bigg.metabolite:lnlnca biggM:lnlnca DTOSIQBPPRVQHS-PDBXOOCHSA-M	Alpha-Linolenic acid, C18:3, n-3
seed.compound:cpd03850 seedM:cpd03850 DTOSIQBPPRVQHS-PDBXOOCHSA-M	Linolenate (9,12,15)-linolenate (9,12,15)-linolenic acid (9Z,12Z,15Z)-Octadecatrienoic acid 9,12,15-Octadecatrienoic acid 9Z,12Z,15Z-octadecatrienoate 9Z,12Z,15Z-octadecatrienoic acid Alpha-Linolenic_acid alpha-Linolenate alpha-Linolenic acid alpha-linolenate linolenate
sabiork.compound:2893 sabiorkM:2893 DTOSIQBPPRVQHS-PDBXOOCHSA-M	alpha-Linolenate 9,12,15-Octadecatrienoic acid Linolenate alpha-Linolenic acid
hmdb:HMDB0001388 DTOSIQBPPRVQHS-PDBXOOCHSA-N	alpha-Linolenic acid (9,12,15)-Linolenate (9,12,15)-Linolenic acid (9Z,12Z,15Z)-Octadecatrienoate (9Z,12Z,15Z)-Octadecatrienoic acid (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid (Z,Z,Z)-9,12,15-Octadecatrienoate (Z,Z,Z)-9,12,15-Octadecatrienoic acid 9,12,15-Octadecatrienoate 9,12,15-Octadecatrienoic acid 9-cis,12-cis,15-cis-Octadecatrienoate 9-cis,12-cis,15-cis-Octadecatrienoic acid ALA FA(18:3(9Z,12Z,15Z)) FA(18:3n3) Industrene 120 Linolenate Linolenic acid a-Linolenate a-Linolenic acid all-cis-9,12,15-Octadecatrienoate all-cis-9,12,15-Octadecatrienoic acid alpha Linolenic acid alpha linolenic acid alpha-Linolenate alpha-linolenate alpha-linolenic acid cis,cis,cis-9,12,15-Octadecatrienoate cis,cis,cis-9,12,15-Octadecatrienoic acid cis-9,12,15-Octadecatrienoate cis-9,12,15-Octadecatrienoic acid cis-Delta(9,12,15)-Octadecatrienoic acid cis-delta(9,12,15)-Octadecatrienoate cis-delta(9,12,15)-octadecatrienoate cis-delta(9,12,15)-octadecatrienoic acid
lipidmaps:LMFA01030152 lipidmapsM:LMFA01030152 DTOSIQBPPRVQHS-PDBXOOCHSA-N	alpha-Linolenic acid 9Z,12Z,15Z-octadecatrienoic acid C18:3n-3,6,9 FA 18:3 cis-9, cis-12, cis-15-octadecatrienoic acid
vmhM:lnlnca vmhmetabolite:lnlnca DTOSIQBPPRVQHS-PDBXOOCHSA-M	alpha-linolenate (6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid
metacyc.compound:LINOLENIC_ACID metacycM:LINOLENIC_ACID DTOSIQBPPRVQHS-PDBXOOCHSA-M	alpha-linolenate (9,12,15)-linolenate (9,12,15)-linolenic acid 9Z,12Z,15Z-octadecatrienoate 9Z,12Z,15Z-octadecatrienoic acid alpha-linolenic acid linolenate
reactome:R-ALL-2046056 reactomeM:R-ALL-2046056 reactome:R-ALL-400174 reactomeM:R-ALL-400174 reactome:R-ALL-400506 reactomeM:R-ALL-400506 CHEBI:27432 chebi:27432 DTOSIQBPPRVQHS-PDBXOOCHSA-N	alpha-linolenic acid (9,12,15)-linolenic acid (9Z,12Z,15Z)-Octadecatrienoic acid (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid (Z,Z,Z)-9,12,15-octadecatrienoic acid 9,12,15-Octadecatrienoic acid 9-cis,12-cis,15-cis-octadecatrienoic acid ALA ALPHA-LINOLENIC ACID all-cis-9,12,15-octadecatrienoic acid alpha-Linolenic acid cis,cis,cis-9,12,15-octadecatrienoic acid cis-Delta(9,12,15)-octadecatrienoic acid linolenic acid
hmdb:HMDB01388 chebi:10298 chebi:22462 chebi:43891 biggM:M_lnlnca keggC:M_C06427 seedM:M_cpd03850 vmhM:M_lnlnca	secondary/obsolete/fantasy identifier