RefMet Compound Details

MW structure37370 (View MW Metabolite Database details)
RefMet nameKetoleucine
Systematic name4-methyl-2-oxopentanoic acid
SMILESCC(C)CC(=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
InChIKeyBKAJNAXTPSGJCU-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassKeto acids
Sub ClassShort-chain keto acids
Pubchem CID70
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Ketoleucine

Rxn IDKEGG ReactionEnzyme
R01088 L-Leucine + H2O + NAD+ <=> 4-Methyl-2-oxopentanoate + Ammonia + NADH + H+L-leucine:NAD+ oxidoreductase (deaminating)
R01090 L-Leucine + 2-Oxoglutarate <=> 4-Methyl-2-oxopentanoate + L-GlutamateL-Leucine:2-oxoglutarate aminotransferase

Table of KEGG human pathways containing Ketoleucine

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