RefMet Compound Details

MW structure67852 (View MW Metabolite Database details)
RefMet nameN-Acetyl-Asp-Glu
Systematic name2-(3-carboxy-2-acetamidopropanamido)pentanedioic acid
SMILESCC(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass304.090668 (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
FormulaC11H16N2O8View other entries in RefMet with this formula
InChIKeyOPVPGKGADVGKTG-NKWVEPMBSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID71120
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving N-Acetyl-Asp-Glu

Rxn IDKEGG ReactionEnzyme
R10693 ATP + N-Acetylaspartylglutamate + L-Glutamate <=> ADP + Orthophosphate + N-AcetylaspartylglutamylglutamateN-acetyl-L-aspartyl-L-glutamate:L-glutamate ligase (ADP, N-acetyl-L-aspartyl-L-glutamyl-L-glutamate-forming)
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
R10688 N-Acetylaspartylglutamylglutamate + H2O <=> N-Acetylaspartylglutamate + L-GlutamateN-Acetylaspartylglutamylglutamate + H2O <=> N-Acetylaspartylglutamate + L-Glutamate

Table of KEGG human pathways containing N-Acetyl-Asp-Glu

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