N-methylphenylethanolaminium (CHEBI:57946)

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ChEBI Name	N-methylphenylethanolaminium

ChEBI ID	CHEBI:57946

ChEBI ASCII Name	N-methylphenylethanolaminium

Definition	An ammonium ion that is the conjugate acid of N-methylphenylethanolamine; major species at pH 7.3.

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

Supplier Information

Download	Molfile XML SDF

Formula

C9H14NO

Net Charge

Average Mass

152.21360

Monoisotopic Mass

152.10699

InChI

InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3/p+1

InChIKey

ZCTYHONEGJTYQV-UHFFFAOYSA-O

SMILES

C[NH2+]CC(O)c1ccccc1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	See: PubMed

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	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	N-methylphenylethanolamine (CHEBI:16913) is conjugate base of N-methylphenylethanolaminium (CHEBI:57946)

IUPAC Name

2-hydroxy-N-methyl-2-phenylethanaminium

Synonyms	Sources
(2-hydroxy-2-phenylethyl)(methyl)azanium	ChEBI
N-methylphenylethanolamine	UniProt
N-methylphenylethanolaminium cation	ChEBI
N-methylphenylethanolaminium(1+)	ChEBI

Manual Xref	Database
N-METHYLPHENYLETHANOLAMINE	MetaCyc
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Last Modified

24 July 2015