RefMet Compound Details

RefMet IDRM0153618
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
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+
InChIKeySECPZKHBENQXJG-BQYQJAHWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassUnsaturated FA
Pubchem CID5282745
ChEBI ID59265
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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