RefMet Compound Details

MW structure38802 (View MW Metabolite Database details)
RefMet nameN-Acetylglutamine
Systematic name4-carbamoyl-2-acetamidobutanoic acid
SMILESCC(=O)NC(CCC(=O)N)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass188.079708 (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
FormulaC7H12N2O4View other entries in RefMet with this formula
InChIKeyKSMRODHGGIIXDV-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID25561
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)