RefMet Compound Details

MW structure37109 (View MW Metabolite Database details)
RefMet nameAlanine
Systematic name(2S)-2-aminopropanoic acid
SMILESC[C@@H](N)C(O)=O
Sum CompositionAlanine View other entries in RefMet with this sum composition
Exact mass89.047679 (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
FormulaC3H7NO2View other entries in RefMet with this formula
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKeyQNAYBMKLOCPYGJ-REOHCLBHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID5950
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Alanine

Rxn IDKEGG ReactionEnzyme
R00400 L-Alanine + Oxaloacetate <=> Pyruvate + L-AspartateL-alanine:oxaloacetate aminotransferase
R00369 L-Alanine + Glyoxylate <=> Pyruvate + GlycineL-Alanine:glyoxylate aminotransferase
R00396 L-Alanine + NAD+ + H2O <=> Pyruvate + Ammonia + NADH + H+L-alanine:NAD+ oxidoreductase (deaminating)
R00258 L-Alanine + 2-Oxoglutarate <=> Pyruvate + L-GlutamateL-Alanine:2-oxoglutarate aminotransferase

Table of KEGG human pathways containing Alanine

Pathway IDHuman Pathway# of reactions
hsa00250 Alanine, aspartate and glutamate metabolism 2
hsa00220 Arginine biosynthesis 1
hsa00450 Selenocompound metabolism 1
hsa01200 Carbon metabolism 1
hsa01230 Biosynthesis of amino acids 1
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