RefMet Compound Details

MW structure1534 (View MW Metabolite Database details)
RefMet name5-Ketocaproic acid
Alternative nameFA 6:1;O
Systematic name5-oxo-hexanoic acid
SMILESCC(=O)CCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 6:1;O View other entries in RefMet with this sum composition
Exact mass130.062995 (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
FormulaC6H10O3View other entries in RefMet with this formula
InChIKeyMGTZCLMLSSAXLD-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassOxo FA
Pubchem CID18407
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)