Record Information
Version1.0
Creation date2015-10-09 22:27:47 UTC
Update date2017-01-19 02:36:11 UTC
FoodComEx IDPC000059
FoodDB RecordFDB022188
Chemical Information
Name1-Methylnicotinamide
Description1-Methylnicotinamide is a metabolite of nicotinamide and is produced primarily in the liver. It has anti-inflammatory properties (PMID 16197374). It is a product of nicotinamide N-methyltransferase [EC 2.1.1.1] in the pathway of nicotinate and nicotinamide metabolism (KEGG). 1-Methylnicotinamide may be an endogenous activator of prostacyclin production and thus may regulate thrombotic as well as inflammatory processes in the cardiovascular system (PMID: 17641676). [HMDB]
CAS Number3106-60-3
Structure
Thumb
Synonyms
SynonymSource
1-Methyl-3-carbamoylpyridiniumhmdb
1-Methyl-3-carbamoylpyridinium cationhmdb
1-Methylnicotinamidehmdb
1-Methylnicotinamide cationChEBI
3-Amido-N-methylpyridinium: 1-methyl-3-Pyridinecarboxamidehmdb
3-carbamoyl-1-methyl-Pyridiniumhmdb
I-methyl nicotinamidehmdb
N-1-methylnicotinamidehmdb
N-Methyl-3-carbamidopyridiniumhmdb
N-Methyl-3-carbamoylpyridinium ionhmdb
N'-methylnicotinamidehmdb
N'methylnicotinamidehmdb
N1-Methylnicotinamidehmdb
Trigonellinamidehmdb
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1
InChI KeyLDHMAVIPBRSVRG-UHFFFAOYSA-O
Isomeric SMILESC[N+]1=CC=CC(=C1)C(N)=O
Average Molecular Weight137.1592
Monoisotopic Molecular Weight137.07148792
Chemical Taxonomy
ClassificationNot classified
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 30 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
Not Available