kynuramine (CHEBI:73472)

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ChEBI Name	kynuramine

ChEBI ID	CHEBI:73472

Definition	A member of the class of kynurenamines that is aniline substituted at position 2 by a 3-aminopropanoyl group.

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

Submitter	Margaret Duesbury

Secondary ChEBI IDs	CHEBI:24989

Supplier Information

Download	Molfile XML SDF

Formula

C9H12N2O

Net Charge

Average Mass

164.20440

Monoisotopic Mass

164.09496

InChI

InChI=1S/C9H12N2O/c10-6-5-9(12)7-3-1-2-4-8(7)11/h1-4H,5-6,10-11H2

InChIKey

QLPVTIQQFGWSQQ-UHFFFAOYSA-N

SMILES

NCCC(=O)c1ccccc1N

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

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	kynuramine (CHEBI:73472) has role metabolite (CHEBI:25212) kynuramine (CHEBI:73472) is a kynurenamines (CHEBI:24990) kynuramine (CHEBI:73472) is a primary amino compound (CHEBI:50994) kynuramine (CHEBI:73472) is conjugate base of kynuramine(1+) (CHEBI:180898)

Incoming	kynuramine(1+) (CHEBI:180898) is conjugate acid of kynuramine (CHEBI:73472)

IUPAC Name

3-amino-1-(2-aminophenyl)propan-1-one

Synonyms	Sources
2',3-diaminopropiophenone	ChEBI
3-amino-1-(2-aminophenyl)-1-propanone	ChEBI
kynurenamine	ChEBI

Last Modified

30 June 2022