RefMet Compound Details

MW structure491 (View MW Metabolite Database details)
RefMet namePalmitelaidic acid
Alternative nameFA 16:1(9E)
Systematic name9E-hexadecenoic acid
SMILESCCCCCC/C=C/CCCCCCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 16:1 View other entries in RefMet with this sum composition
Exact mass254.224580 (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
FormulaC16H30O2View other entries in RefMet with this formula
InChIKeySECPZKHBENQXJG-BQYQJAHWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassUnsaturated FA
Pubchem CID5282745
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)