RefMet Compound Details

MW structure582 (View MW Metabolite Database details)
RefMet namealpha-Linolenic acid
Alternative nameFA 18:3(9Z,12Z,15Z)
Systematic name9Z,12Z,15Z-octadecatrienoic acid
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(O)=O
Exact mass278.224580 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC18H30O2View other entries in RefMet with this formula
InChIInChI=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-
InChIKeyDTOSIQBPPRVQHS-PDBXOOCHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassUnsaturated FA
Pubchem CID5280934
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples

Table of KEGG reactions in human pathways involving alpha-Linolenic acid

Rxn IDKEGG ReactionEnzyme
R07860 Phosphatidylcholine + H2O <=> 2-Acyl-sn-glycero-3-phosphocholine + (9Z,12Z,15Z)-Octadecatrienoic acidPhosphatidylcholine + H2O <=> 2-Acyl-sn-glycero-3-phosphocholine + (9Z,12Z,15Z)-Octadecatrienoic acid
R07859 Phosphatidylcholine + H2O <=> 1-Acyl-sn-glycero-3-phosphocholine + (9Z,12Z,15Z)-Octadecatrienoic acidPhosphatidylcholine + H2O <=> 1-Acyl-sn-glycero-3-phosphocholine + (9Z,12Z,15Z)-Octadecatrienoic acid

Table of KEGG human pathways containing alpha-Linolenic acid

Pathway IDHuman Pathway# of reactions
hsa00592 alpha-Linolenic acid metabolism 2
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