RefMet Compound Details

MW structure38801 (View MW Metabolite Database details)
RefMet nameN-Acetylasparagine
Systematic name(2S)-3-carbamoyl-2-acetamidopropanoic acid
Canonical SMILESCC(=O)N[C@@H](CC(N)=O)C(O)=O
Exact mass174.0641View other entries in RefMet with this exact mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC6H10N2O4View other entries in RefMet with this formula
InChIInChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1
InChIKeyHXFOXFJUNFFYMO-BYPYZUCNSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID99715
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