RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0139467
RefMet name	Elaidolinolenic acid
Alternative name	FA 18:3(9E,12E,15E)
Systematic name	9E,12E,15E-octadecatrienoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 18:3	View other entries in RefMet with this sum composition
Exact mass	278.224580 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C18H30O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	583 (Download molfile/View MW Metabolite Database details)
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)/b4-3+,7-6+,10-9+
InChIKey	DTOSIQBPPRVQHS-IUQGRGSQSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Unsaturated FA
Distribution of Elaidolinolenic acid in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Elaidolinolenic acid
External Links
Pubchem CID	5282822
LIPID MAPS	LMFA01030153
ChEBI ID	165492
KEGG ID	C06427
Chemspider ID	4445949
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Elaidolinolenic acid

Rxn ID	KEGG Reaction	Enzyme
R07859	Phosphatidylcholine + H2O <=> 1-Acyl-sn-glycero-3-phosphocholine + (9Z,12Z,15Z)-Octadecatrienoic acid	Phosphatidylcholine + H2O <=> 1-Acyl-sn-glycero-3-phosphocholine + (9Z,12Z,15Z)-Octadecatrienoic acid
R07860	Phosphatidylcholine + H2O <=> 2-Acyl-sn-glycero-3-phosphocholine + (9Z,12Z,15Z)-Octadecatrienoic acid	Phosphatidylcholine + H2O <=> 2-Acyl-sn-glycero-3-phosphocholine + (9Z,12Z,15Z)-Octadecatrienoic acid
R07861	(9Z,12Z,15Z)-Octadecatrienoic acid + Reduced acceptor + Oxygen <=> Stearidonic acid + Acceptor + 2 H2O	(9Z,12Z,15Z)-Octadecatrienoic acid + Reduced acceptor + Oxygen <=> Stearidonic acid + Acceptor + 2 H2O
R08178	(9Z,12Z,15Z)-Octadecatrienoyl-CoA + H2O <=> CoA + (9Z,12Z,15Z)-Octadecatrienoic acid	(9Z,12Z,15Z)-Octadecatrienoyl-CoA + H2O <=> CoA + (9Z,12Z,15Z)-Octadecatrienoic acid

Table of KEGG human pathways containing Elaidolinolenic acid

Pathway ID	Human Pathway	# of reactions
hsa00592	alpha-Linolenic acid metabolism	3
hsa01040	Biosynthesis of unsaturated fatty acids	1