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
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
InChIInChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
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)
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