RefMet Compound Details

MW structure37484 (View MW Metabolite Database details)
RefMet nameValine
Systematic name(2S)-2-amino-3-methylbutanoic acid
SMILESCC(C)[C@@H](N)C(O)=O
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
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
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)
Human quantitationView measurements in targeted assays on human samples

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

Table of KEGG human pathways containing Valine

Pathway IDHuman Pathway# of reactions
hsa00280 Valine, leucine and isoleucine degradation 1
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
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