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CHEBI:16797 - 1-methylnicotinamide

Default Structure
ChEBI IDCHEBI:16797
ChEBI Name1-methylnicotinamide
Stars
DefinitionA 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.
Secondary ChEBI IDsCHEBI:646, CHEBI:11267, CHEBI:18635
Last Modified16 July 2021
DownloadsMolfile
FormulaC7H9N2O
Net Charge+1
Average Mass137.162
Monoisotopic Mass137.07094
SMILESC[n+]1cccc(C(N)=O)c1
InChIInChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1
InChIKeyLDHMAVIPBRSVRG-UHFFFAOYSA-O
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- DOI (10.1038/nbt.2488)
- MetaboLights (MTBLS337) From MetaboLights
- MetaboLights (MTBLS20) From MetaboLights
- MetaboLights (MTBLS292) From MetaboLights
blood (UBERON:0000178) PubMed (11199218)
urine (BTO:0001419) PubMed (22932811)
- MetaboLights (MTBLS368) From MetaboLights
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Undaria pinnatifida (ncbitaxon:74381) - DOI (10.20632/vso.60.11_537)
Roles Classification
Biological Roles:
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.
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
1-methyl nicotinamide-d3 (CHEBI:145117) is a 1-methylnicotinamide (CHEBI:16797)
IUPAC Name 
3-carbamoyl-1-methylpyridinium
Synonyms  Source
1-methyl nicotinamideChemIDplus
1-MethylnicotinamideKEGG COMPOUND
1-methylnicotinamide cationChEBI
3-(aminocarbonyl)-1-methylpyridiniumChemIDplus
3-carbamoyl-1-methylpyridin-1-iumHMDB
N-1-methylnicotinamideHMDB
UniProt Name  Source
1-methylnicotinamideUniProt
Manual XrefsDatabases
1-MethylnicotinamideWikipedia
444ChemSpider
8GCPDBeChem
C00052106KNApSAcK
C02918KEGG COMPOUND
CPD-396MetaCyc
FDB022188FooDB
HMDB0000699HMDB
Registry NumbersSources
Reaxys:3540351Reaxys
CAS:3106-60-3ChemIDplus
Citations