RefMet Compound Details

MW structure38867 (View MW Metabolite Database details)
RefMet namealpha-N-Phenylacetylglutamine
Systematic name(2S)-4-carbamoyl-2-(2-phenylacetamido)butanoic acid
Canonical SMILESNC(=O)CC[C@@H](NC(=O)Cc1ccccc1)C(O)=O
Exact mass264.1110View other entries in RefMet with this exact mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC13H16N2O4View other entries in RefMet with this formula
InChIInChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1
InChIKeyJFLIEFSWGNOPJJ-JTQLQIEISA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub classAmino acids
Pubchem CID92258
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