RefMet Compound Details

MW structure87144 (View MW Metabolite Database details)
RefMet nameN-Acetyl-tryptophan
Systematic name(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid
SMILESCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass246.100443 (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
FormulaC13H14N2O3View other entries in RefMet with this formula
InChIKeyDZTHIGRZJZPRDV-LBPRGKRZSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID700653
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)