RefMet Compound Details

MW structure37441 (View MW Metabolite Database details)
RefMet nameN-Acetylaspartic acid
Systematic name(2S)-2-acetamidobutanedioic acid
SMILESCC(=O)N[C@@H](CC(=O)O)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass175.048074 (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
FormulaC6H9NO5View other entries in RefMet with this formula
InChIKeyOTCCIMWXFLJLIA-BYPYZUCNSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID65065
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving N-Acetylaspartic acid

Rxn IDKEGG ReactionEnzyme
R10678 ATP + N-Acetyl-L-aspartate + L-Glutamate <=> ADP + Orthophosphate + N-AcetylaspartylglutamateN-acetyl-L-aspartate:L-glutamate ligase (ADP, N-acetyl-L-aspartyl-L-glutamate-forming)
R10687 N-Acetylaspartylglutamate + H2O <=> N-Acetyl-L-aspartate + L-GlutamateN-Acetylaspartylglutamate + H2O <=> N-Acetyl-L-aspartate + L-Glutamate
R00488 N-Acetyl-L-aspartate + H2O <=> Acetate + L-AspartateN-Acetyl-L-aspartate amidohydrolase
R00487 Acetyl-CoA + L-Aspartate <=> CoA + N-Acetyl-L-aspartateacetyl-CoA:L-aspartate N-acetyltransferase

Table of KEGG human pathways containing N-Acetylaspartic acid

Pathway IDHuman Pathway# of reactions
hsa00250 Alanine, aspartate and glutamate metabolism 4