RefMet Compound Details

MW structure38801 (View MW Metabolite Database details)
RefMet nameN-Acetylasparagine
Systematic name(2S)-3-carbamoyl-2-acetamidopropanoic acid
SMILESCC(=O)N[C@@H](CC(=O)N)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass174.064058 (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
FormulaC6H10N2O4View other entries in RefMet with this formula
InChIKeyHXFOXFJUNFFYMO-BYPYZUCNSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID99715
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)