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CHEBI:16797 - 1-methylnicotinamide

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)
blood (UBERON:0000178) PubMed (11199218)
urine (BTO:0001419) PubMed (22932811)
- MetaboLights (MTBLS368) From MetaboLights
- MetaboLights (MTBLS337) From MetaboLights
- MetaboLights (MTBLS20) From MetaboLights
- MetaboLights (MTBLS292) From MetaboLights
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Undaria pinnatifida (ncbitaxon:74381) - DOI (10.20632/vso.60.11_537)
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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.
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-MethylnicotinamideKEGG COMPOUND
N(1)-MethylnicotinamideChemIDplus
3-(aminocarbonyl)-1-methylpyridiniumChemIDplus
TrigonellinamideChemIDplus
1-methylnicotinamide cationChEBI
N-1-methylnicotinamideHMDB
UniProt Name  Source
1-methylnicotinamideUniProt
Manual XrefsDatabases
C02918KEGG COMPOUND
CPD-396MetaCyc
HMDB0000699HMDB
8GCPDBeChem
FDB022188FooDB
C00052106KNApSAcK
1-MethylnicotinamideWikipedia
444ChemSpider
Registry NumbersSources
Reaxys:3540351Reaxys
CAS:3106-60-3ChemIDplus
Citations