RefMet Compound Details

RefMet IDRM0056200
MW structure38867 (View MW Metabolite Database details)
RefMet namealpha-N-Phenylacetylglutamine   Species distribution   Sample source distribution
Systematic name(2S)-4-carbamoyl-2-(2-phenylacetamido)butanoic acid
SMILESc1ccc(cc1)CC(=O)N[C@@H](CCC(=O)N)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
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
ChEBI ID17884
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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