RefMet Compound Details

MW structure4651 (View MW Metabolite Database details)
RefMet nameLinoleoyl-EA
Systematic nameN-(9Z,12Z-octadecadienoyl)-ethanolamine
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionNAE 18:2 View other entries in RefMet with this sum composition
Exact mass323.282429 (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
FormulaC20H37NO2View other entries in RefMet with this formula
InChIKeyKQXDGUVSAAQARU-HZJYTTRNSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty amides
Sub ClassNAE (N-acyl ethanolamines)
Pubchem CID5283446
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)