RefMet Compound Details

MW structure37238 (View MW Metabolite Database details)
RefMet name2-Methyl-3-ketovaleric acid
Alternative nameFA 5:0;2Me,3oxo
Systematic name2-methyl-3-oxopentanoic acid
SMILESCCC(=O)C(C)C(=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
InChIInChI=1S/C6H10O3/c1-3-5(7)4(2)6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKeyQTLYPQZWYOHATR-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassHydroxy FA
Pubchem CID189028
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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