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CHEBI:180898 - kynuramine(1+)

ChEBI IDCHEBI:180898
ChEBI Namekynuramine(1+)
Stars
DefinitionA primary ammonium ion that is the conjugate acid of kynuramine resulting from the protonation of the primary amino group; major species at pH 7.3.
Last Modified14 October 2021
SubmitterAnne Morgat
DownloadsMolfile
FormulaC9H13N2O
Net Charge+1
Average Mass165.216
Monoisotopic Mass165.10224
SMILESNc1ccccc1C(=O)CC[NH3+]
InChIInChI=1S/C9H12N2O/c10-6-5-9(12)7-3-1-2-4-8(7)11/h1-4H,5-6,10-11H2/p+1
InChIKeyQLPVTIQQFGWSQQ-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
kynuramine(1+) (CHEBI:180898) is a primary ammonium ion (CHEBI:65296)
kynuramine(1+) (CHEBI:180898) is conjugate acid of kynuramine (CHEBI:73472)
Incoming Relation(s)
kynuramine (CHEBI:73472) is conjugate base of kynuramine(1+) (CHEBI:180898)
IUPAC Name 
3-(2-aminophenyl)-3-oxopropan-1-aminium
Synonyms  Source
kynuramine cationChEBI
kynurenamine(1+)ChEBI
kynurenamine cationChEBI
UniProt Name  Source
kynuramineUniProt
Manual XrefsDatabases
CPD-7654MetaCyc
Citations