N-acetyltryptophanate (CHEBI:133746)

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ChEBI Name	N-acetyltryptophanate

ChEBI ID	CHEBI:133746

ChEBI ASCII Name	N-acetyltryptophanate

Definition	A monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of N-acetyltryptophan.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C13H13N2O3

Net Charge

-1

Average Mass

245.254

Monoisotopic Mass

245.09317

InChI

InChI=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

InChIKey

DZTHIGRZJZPRDV-UHFFFAOYSA-M

SMILES

C(C([O-])=O)(NC(C)=O)CC=1C2=CC=CC=C2NC1

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	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	N-acetyltryptophan (CHEBI:70976) is conjugate acid of N-acetyltryptophanate (CHEBI:133746)

IUPAC Name

2-acetamido-3-(1H-indol-3-yl)propanoate

Registry Number	Type	Source
5294451	Reaxys Registry Number	Reaxys

Last Modified

17 October 2016