RefMet Compound Details

MW structure1871 (View MW Metabolite Database details)
RefMet nameIsoleucine
Systematic name2S-Amino-3S-methylpentanoic acid
SMILESCC[C@H](C)[C@@H](C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass131.094629 (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
FormulaC6H13NO2View other entries in RefMet with this formula
InChIKeyAGPKZVBTJJNPAG-WHFBIAKZSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID6306
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Isoleucine

Rxn IDKEGG ReactionEnzyme
R02197 L-Isoleucine + H2O + Oxygen <=> (S)-3-Methyl-2-oxopentanoic acid + Ammonia + Hydrogen peroxideL-Isoleucine:oxygen oxidoreductase (deaminating)
R02196 L-Isoleucine + NAD+ + H2O <=> (S)-3-Methyl-2-oxopentanoic acid + Ammonia + NADH + H+L-Isoleucine:NAD+ oxidoreductase(deaminating)
R02199 L-Isoleucine + 2-Oxoglutarate <=> (S)-3-Methyl-2-oxopentanoic acid + L-GlutamateL-Isoleucine:2-oxoglutarate aminotransferase
R03656 ATP + L-Isoleucine + tRNA(Ile) <=> AMP + Diphosphate + L-Isoleucyl-tRNA(Ile)L-Isoleucine:tRNA(Ile) ligase (AMP-forming)

Table of KEGG human pathways containing Isoleucine

Pathway IDHuman Pathway# of reactions
hsa00280 Valine, leucine and isoleucine degradation 2
hsa00290 Valine, leucine and isoleucine biosynthesis 1
hsa00970 Aminoacyl-tRNA biosynthesis 1
hsa01100 Metabolic pathways 1
hsa01210 2-Oxocarboxylic acid metabolism 1
hsa01230 Biosynthesis of amino acids 1