RefMet Compound Details

MW structure506 (View MW Metabolite Database details)
RefMet nameElaidic acid
Alternative nameFA 18:1(9E)
Systematic name9E-octadecenoic acid
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 18:1 View other entries in RefMet with this sum composition
Exact mass282.255880 (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
FormulaC18H34O2View other entries in RefMet with this formula
InChIKeyZQPPMHVWECSIRJ-MDZDMXLPSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassUnsaturated FA
Pubchem CID637517
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)