RefMet Compound Details

MW structure323 (View MW Metabolite Database details)
RefMet nameKetoisovaleric acid
Systematic name3-methyl-2-oxo-butanoic acid
SMILESCC(C)C(=O)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 5:1;O View other entries in RefMet with this sum composition
Exact mass116.047345 (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
FormulaC5H8O3View other entries in RefMet with this formula
InChIKeyQHKABHOOEWYVLI-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassBranched FA
Pubchem CID49
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Ketoisovaleric acid

Rxn IDKEGG ReactionEnzyme
R01434 L-Valine + H2O + NAD+ <=> 3-Methyl-2-oxobutanoic acid + Ammonia + NADH + H+L-valine:NAD+ oxidoreductase(deaminating)
R01214 L-Valine + 2-Oxoglutarate <=> 3-Methyl-2-oxobutanoic acid + L-GlutamateL-Valine:2-oxoglutarate aminotransferase
R01215 L-Valine + Pyruvate <=> 3-Methyl-2-oxobutanoic acid + L-AlanineL-Valine:pyruvate aminotransferase
R01701 3-Methyl-2-oxobutanoic acid + Enzyme N6-(lipoyl)lysine <=> [Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] S-(2-methylpropanoyl)dihydrolipoyllysine + CO23-methyl-2-oxobutanoate:[dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] lipoyllysine 2-oxidoreductase (decarboxylating, acceptor-2-methylpropanoylating)

Table of KEGG human pathways containing Ketoisovaleric acid

Pathway IDHuman Pathway# of reactions
hsa01100 Metabolic pathways 3
hsa00280 Valine, leucine and isoleucine degradation 2
hsa00290 Valine, leucine and isoleucine biosynthesis 1
hsa00770 Pantothenate and CoA biosynthesis 1
hsa01210 2-Oxocarboxylic acid metabolism 1
hsa01230 Biosynthesis of amino acids 1