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CHEBI:73472 - kynuramine

ChEBI IDCHEBI:73472
ChEBI Namekynuramine
Stars
DefinitionA member of the class of kynurenamines that is aniline substituted at position 2 by a 3-aminopropanoyl group.
Secondary ChEBI IDCHEBI:24989
Last Modified30 June 2022
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC9H12N2O
Net Charge0
Average Mass164.208
Monoisotopic Mass164.09496
SMILESNCCC(=O)c1ccccc1N
InChIInChI=1S/C9H12N2O/c10-6-5-9(12)7-3-1-2-4-8(7)11/h1-4H,5-6,10-11H2
InChIKeyQLPVTIQQFGWSQQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
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 Relation(s)
kynuramine(1+) (CHEBI:180898) is conjugate acid of kynuramine (CHEBI:73472)
IUPAC Name 
3-amino-1-(2-aminophenyl)propan-1-one
Synonyms  Source
2',3-diaminopropiophenoneChEBI
3-amino-1-(2-aminophenyl)-1-propanoneChEBI
kynurenamineChEBI
Manual XrefsDatabases
WO2006061140Patent
HMDB0012246HMDB
FDB028888FooDB
9311ChemSpider
Registry NumbersSources
Reaxys:2802772Reaxys
CAS:363-36-0ChemIDplus
Citations