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CHEBI:57741 - phenylethanolaminium

ChEBI IDCHEBI:57741
ChEBI Namephenylethanolaminium
Stars
DefinitionAn ammonium ion that is the conjugate acid of phenylethanolamine arising from protonation of the primary amino group; major species at pH 7.3.
Last Modified24 July 2015
DownloadsMolfile
FormulaC8H12NO
Net Charge+1
Average Mass138.190
Monoisotopic Mass138.09134
SMILES[NH3+]CC(O)c1ccccc1
InChIInChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/p+1
InChIKeyULSIYEODSMZIPX-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (3137238)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
phenylethanolaminium (CHEBI:57741) has role human metabolite (CHEBI:77746)
phenylethanolaminium (CHEBI:57741) is a ammonium ion derivative (CHEBI:35274)
phenylethanolaminium (CHEBI:57741) is conjugate acid of phenylethanolamine (CHEBI:16343)
Incoming Relation(s)
phenylethanolamine (CHEBI:16343) is conjugate base of phenylethanolaminium (CHEBI:57741)
IUPAC Name 
2-hydroxy-2-phenylethanaminium
Synonyms  Source
2-ammonio-1-phenylethanolChEBI
2-azaniumyl-1-phenylethanolChEBI
2-hydroxy-2-phenylethan-1-aminiumChEBI
phenylethanolaminium cationChEBI
UniProt Name  Source
phenylethanolamineUniProt
Manual XrefsDatabases
PHENYLETHANOLAMINEMetaCyc