RefMet Compound Details

MW structure1572 (View MW Metabolite Database details)
RefMet name14-Oxopentadecanoic acid
Alternative nameFA 14:1;O
Systematic name14-oxo-pentadecanoic acid
SMILESCC(=O)CCCCCCCCCCCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 15:1;O View other entries in RefMet with this sum composition
Exact mass256.203846 (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
FormulaC15H28O3View other entries in RefMet with this formula
InChIInChI=1S/C15H28O3/c1-14(16)12-10-8-6-4-2-3-5-7-9-11-13-15(17)18/h2-13H2,1H3,(H,17,18)
InChIKeyASPRDWSVJBWGBT-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassOxo FA
Pubchem CID5282995
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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