RefMet Compound Details

MW structure38867 (View MW Metabolite Database details)
RefMet namealpha-N-Phenylacetylglutamine
Systematic name(2S)-4-carbamoyl-2-(2-phenylacetamido)butanoic acid
SMILESNC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass264.111008 (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
FormulaC13H16N2O4View other entries in RefMet with this formula
InChIKeyJFLIEFSWGNOPJJ-JTQLQIEISA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID92258
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)