1-methylnicotinamide (CHEBI:16797)

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ChEBI Name	1-methylnicotinamide

ChEBI ID	CHEBI:16797

Definition	A pyridinium ion comprising nicotinamide having a methyl group at the 1-position. It is a metabolite of nicotinamide which was initially considered to be biologically inactive but has emerged as an anti-thrombotic and anti-inflammatory agent.

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

Secondary ChEBI IDs	CHEBI:646, CHEBI:18635, CHEBI:11267

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Formula

C7H9N2O

Net Charge

Average Mass

137.161

Monoisotopic Mass

137.07094

InChI

InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1

InChIKey

LDHMAVIPBRSVRG-UHFFFAOYSA-O

SMILES

C[N+]1=CC(=CC=C1)C(N)=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:txid4932)	Source: yeast.sf.net See: PubMed
Undaria pinnatifida (NCBI:txid74381)	See: DOI
Homo sapiens (NCBI:txid9606)	See: DOI
Homo sapiens (NCBI:txid9606)	Found in blood (UBERON:0000178). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606)	From MetaboLights See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	From MetaboLights See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	From MetaboLights See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	From MetaboLights See: MetaboLights Study

Roles Classification
Biological Role(s):	Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. algal metabolite Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology
Outgoing	1-methylnicotinamide (CHEBI:16797) has functional parent nicotinamide (CHEBI:17154) 1-methylnicotinamide (CHEBI:16797) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) 1-methylnicotinamide (CHEBI:16797) has role algal metabolite (CHEBI:84735) 1-methylnicotinamide (CHEBI:16797) has role anti-inflammatory agent (CHEBI:67079) 1-methylnicotinamide (CHEBI:16797) has role human urinary metabolite (CHEBI:84087) 1-methylnicotinamide (CHEBI:16797) has role mouse metabolite (CHEBI:75771) 1-methylnicotinamide (CHEBI:16797) has role plant metabolite (CHEBI:76924) 1-methylnicotinamide (CHEBI:16797) is a pyridinium ion (CHEBI:50334)

Incoming	1-methyl nicotinamide-d3 (CHEBI:145117) is a 1-methylnicotinamide (CHEBI:16797)

IUPAC Name

3-carbamoyl-1-methylpyridinium

Synonyms	Sources
1-methyl nicotinamide	ChemIDplus
1-Methylnicotinamide	KEGG COMPOUND
1-methylnicotinamide	UniProt
1-methylnicotinamide cation	ChEBI
3-(aminocarbonyl)-1-methylpyridinium	ChemIDplus
3-carbamoyl-1-methylpyridin-1-ium	HMDB
N(1)-Methylnicotinamide	ChemIDplus
N-1-methylnicotinamide	HMDB
N¹-methylnicotinamide	HMDB
Trigonellinamide	ChemIDplus

Last Modified

16 July 2021