EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133746 - N-acetyltryptophanate

ChEBI IDCHEBI:133746
ChEBI NameN-acetyltryptophanate
Stars
ASCII NameN-acetyltryptophanate
DefinitionA monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of N-acetyltryptophan.
Last Modified17 October 2016
Submitterjjtluanloet
DownloadsMolfile
FormulaC13H13N2O3
Net Charge-1
Average Mass245.258
Monoisotopic Mass245.09317
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)/p-1
InChIKeyDZTHIGRZJZPRDV-UHFFFAOYSA-M
Roles Classification
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-acetyltryptophanate (CHEBI:133746) has role metabolite (CHEBI:25212)
N-acetyltryptophanate (CHEBI:133746) is a monocarboxylic acid anion (CHEBI:35757)
N-acetyltryptophanate (CHEBI:133746) is conjugate base of N-acetyltryptophan (CHEBI:70976)
Incoming Relation(s)
N-acetyltryptophan (CHEBI:70976) is conjugate acid of N-acetyltryptophanate (CHEBI:133746)
IUPAC Name 
2-acetamido-3-(1H-indol-3-yl)propanoate
Synonyms  Source
acetyltryptophan(1−)ChEBI
acetyltryptophanateChEBI
N-acetyltryptophan(1−)ChEBI
Registry NumbersSources
Reaxys:5294451Reaxys