RefMet Compound Details

MW structure37295 (View MW Metabolite Database details)
RefMet nameN-Acetylglycine
Systematic name2-acetamidoacetic acid
SMILESCC(=O)NCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass117.042594 (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
FormulaC4H7NO3View other entries in RefMet with this formula
InChIKeyOKJIRPAQVSHGFK-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID10972
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)