RefMet Compound Details

MW structure78504 (View MW Metabolite Database details)
RefMet name3-Methyl-2-oxovaleric acid
Alternative name3-methyl-2-oxovaleric acid
Systematic name3-methyl-2-oxo-pentanoic acid
SMILESCCC(C)C(=O)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
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
InChIKeyJVQYSWDUAOAHFM-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassKeto acids
Sub ClassShort-chain keto acids
Pubchem CID47
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)