RefMet Compound Details

MW structure37484 (View MW Metabolite Database details)
RefMet nameValine
Systematic name(2S)-2-amino-3-methylbutanoic acid
SMILESCC(C)[C@@H](C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass117.078979 (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
FormulaC5H11NO2View other entries in RefMet with this formula
InChIKeyKZSNJWFQEVHDMF-BYPYZUCNSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID6287
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Valine

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
R03665 ATP + L-Valine + tRNA(Val) <=> AMP + Diphosphate + L-Valyl-tRNA(Val)L-Valine:tRNAVal ligase (AMP-forming)

Table of KEGG human pathways containing Valine

Pathway IDHuman Pathway# of reactions
hsa01100 Metabolic pathways 2
hsa00290 Valine, leucine and isoleucine biosynthesis 1
hsa00770 Pantothenate and CoA biosynthesis 1
hsa00280 Valine, leucine and isoleucine degradation 1
hsa01210 2-Oxocarboxylic acid metabolism 1
hsa01230 Biosynthesis of amino acids 1
hsa00970 Aminoacyl-tRNA biosynthesis 1