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
Sum CompositionN-Acetylaspartic acid View other entries in RefMet with this sum composition
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
InChIInChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1
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
R00487 Acetyl-CoA + L-Aspartate <=> CoA + N-Acetyl-L-aspartateacetyl-CoA:L-aspartate N-acetyltransferase
R00488 N-Acetyl-L-aspartate + H2O <=> Acetate + L-AspartateN-Acetyl-L-aspartate amidohydrolase

Table of KEGG human pathways containing N-Acetylaspartic acid

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