RefMet Compound Details

MW structure37126 (View MW Metabolite Database details)
RefMet nameAspartic acid
Systematic name(2S)-2-aminobutanedioic acid
SMILESN[C@@H](CC(O)=O)C(O)=O
Sum CompositionAspartic acid View other entries in RefMet with this sum composition
Exact mass133.037509 (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
FormulaC4H7NO4View other entries in RefMet with this formula
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID5960
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Aspartic acid

Rxn IDKEGG ReactionEnzyme
R00485 L-Asparagine + H2O <=> L-Aspartate + AmmoniaL-asparagine amidohydrolase
R00578 ATP + L-Aspartate + L-Glutamine + H2O <=> AMP + Diphosphate + L-Asparagine + L-GlutamateL-aspartate:L-glutamine amido-ligase (AMP-forming)
R00481 L-Aspartate + Oxygen <=> Iminoaspartate + Hydrogen peroxideL-aspartate:oxygen oxidoreductase
R00487 Acetyl-CoA + L-Aspartate <=> CoA + N-Acetyl-L-aspartateacetyl-CoA:L-aspartate N-acetyltransferase
R00357 L-Aspartate + H2O + Oxygen <=> Oxaloacetate + Ammonia + Hydrogen peroxideL-Aspartic acid:oxygen oxidoreductase (deaminating)
R00483 ATP + L-Aspartate + Ammonia <=> AMP + Diphosphate + L-AsparagineL-aspartate:ammonia ligase (AMP-forming)
R00355 L-Aspartate + 2-Oxoglutarate <=> Oxaloacetate + L-GlutamateL-Aspartate:2-oxoglutarate aminotransferase
R00488 N-Acetyl-L-aspartate + H2O <=> Acetate + L-AspartateN-Acetyl-L-aspartate amidohydrolase
R07407 L-Aspartate + NADP+ <=> Iminoaspartate + NADPH + H+L-aspartate:NADP+ oxidoreductase (deaminating)
R00526 N-Formyl-L-aspartate + H2O <=> Formate + L-AspartateN-Formyl-L-aspartate amidohydrolase
R07410 L-Aspartate + NAD+ <=> Iminoaspartate + NADH + H+L-aspartate:NAD+ oxidoreductase (deaminating)
R00489 L-Aspartate <=> beta-Alanine + CO2L-aspartate 1-carboxy-lyase (beta-alanine-forming)

Table of KEGG human pathways containing Aspartic acid

Pathway IDHuman Pathway# of reactions
hsa00250 Alanine, aspartate and glutamate metabolism 7
hsa00220 Arginine biosynthesis 2
hsa01230 Biosynthesis of amino acids 2
hsa00410 beta-Alanine metabolism 1
hsa00770 Pantothenate and CoA biosynthesis 1
hsa01200 Carbon metabolism 1
hsa01210 2-Oxocarboxylic acid metabolism 1
hsa00340 Histidine metabolism 1
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