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CHEBI:57946 - N-methylphenylethanolaminium

ChEBI IDCHEBI:57946
ChEBI NameN-methylphenylethanolaminium
Stars
ASCII NameN-methylphenylethanolaminium
DefinitionAn ammonium ion that is the conjugate acid of N-methylphenylethanolamine; major species at pH 7.3.
Last Modified24 July 2015
DownloadsMolfile
FormulaC9H14NO
Net Charge+1
Average Mass152.217
Monoisotopic Mass152.10699
SMILESC[NH2+]CC(O)c1ccccc1
InChIInChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3/p+1
InChIKeyZCTYHONEGJTYQV-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (6775642)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-methylphenylethanolaminium (CHEBI:57946) has role human metabolite (CHEBI:77746)
N-methylphenylethanolaminium (CHEBI:57946) has role plant metabolite (CHEBI:76924)
N-methylphenylethanolaminium (CHEBI:57946) is a ammonium ion derivative (CHEBI:35274)
N-methylphenylethanolaminium (CHEBI:57946) is conjugate acid of N-methylphenylethanolamine (CHEBI:16913)
Incoming Relation(s)
N-methylphenylethanolamine (CHEBI:16913) is conjugate base of N-methylphenylethanolaminium (CHEBI:57946)
IUPAC Name 
2-hydroxy-N-methyl-2-phenylethanaminium
Synonyms  Source
(2-hydroxy-2-phenylethyl)(methyl)azaniumChEBI
N-methylphenylethanolaminium(1+)ChEBI
N-methylphenylethanolaminium cationChEBI
UniProt Name  Source
N-methylphenylethanolamineUniProt
Manual XrefsDatabases
N-METHYLPHENYLETHANOLAMINEMetaCyc