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CHEBI:21626 - N-acetylphenylalanine

ChEBI IDCHEBI:21626
ChEBI NameN-acetylphenylalanine
Stars
ASCII NameN-acetylphenylalanine
DefinitionThe N-acetyl derivative of phenylalanine.
Last Modified9 November 2012
DownloadsMolfile
FormulaC11H13NO3
Net Charge0
Average Mass207.229
Monoisotopic Mass207.08954
SMILESCC(=O)NC(Cc1ccccc1)C(=O)O
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)
InChIKeyCBQJSKKFNMDLON-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
ChEBI Ontology
Outgoing Relation(s)
N-acetylphenylalanine (CHEBI:21626) has role antidepressant (CHEBI:35469)
N-acetylphenylalanine (CHEBI:21626) has role metabolite (CHEBI:25212)
N-acetylphenylalanine (CHEBI:21626) is a N-acetyl-amino acid (CHEBI:21575)
N-acetylphenylalanine (CHEBI:21626) is a phenylalanine derivative (CHEBI:25985)
Incoming Relation(s)
N-acetyl-D-phenylalanine (CHEBI:28203) is a N-acetylphenylalanine (CHEBI:21626)
N-acetyl-L-phenylalanine (CHEBI:16259) is a N-acetylphenylalanine (CHEBI:21626)
IUPAC Names 
N-acetylphenylalanine
2-(acetylamino)-3-phenylpropanoic acid
INNs  Source
afalaninumChemIDplus
afalanineChemIDplus
afalaninaChemIDplus
Synonym  Source
N-Acetyl-3-phenyl-DL-alanineChemIDplus
Registry NumbersSources
Reaxys:2213851Reaxys
CAS:2901-75-9ChemIDplus