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CHEBI:70976 - N-acetyltryptophan

ChEBI IDCHEBI:70976
ChEBI NameN-acetyltryptophan
Stars
ASCII NameN-acetyltryptophan
DefinitionAn N-acetylamino acid that is the N-acetyl derivative of tryptophan.
Last Modified17 July 2018
Submittermwilliams
DownloadsMolfile
FormulaC13H14N2O3
Net Charge0
Average Mass246.266
Monoisotopic Mass246.10044
SMILESCC(=O)NC(Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyDZTHIGRZJZPRDV-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.
ChEBI Ontology
Outgoing Relation(s)
N-acetyltryptophan (CHEBI:70976) has role metabolite (CHEBI:25212)
N-acetyltryptophan (CHEBI:70976) is a N-acetyl-amino acid (CHEBI:21575)
N-acetyltryptophan (CHEBI:70976) is a tryptophan derivative (CHEBI:27164)
N-acetyltryptophan (CHEBI:70976) is conjugate acid of N-acetyltryptophanate (CHEBI:133746)
Incoming Relation(s)
N-acetyltryptophanate (CHEBI:133746) is conjugate base of N-acetyltryptophan (CHEBI:70976)
IUPAC Names 
2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid
N-acetyltryptophan
Synonyms  Source
N-acetyl-DL-tryptophanChEBI
AcetyltryptophanChemIDplus
N-acetyltryptophaneChEBI
Registry NumbersSources
Reaxys:487262Reaxys
CAS:87-32-1ChemIDplus
Citations