RefMet Compound Details

MW structure37286 (View MW Metabolite Database details)
RefMet nameN-Acetylphenylalanine
Systematic name(2S)-2-acetamido-3-phenylpropanoic acid
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass207.089544 (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
FormulaC11H13NO3View other entries in RefMet with this formula
InChIKeyCBQJSKKFNMDLON-JTQLQIEISA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID74839
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)