RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0030166
RefMet name	1-Methyl nicotinamide
Systematic name	3-(Aminocarbonyl)-1-methylpyridinium
Synonyms	PubChem Synonyms
Exact mass	137.071488 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C7H9N2O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	67157 (Download molfile/View MW Metabolite Database details)
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	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[n+]1cccc(c1)C(=O)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Pyridine alkaloids
Sub Class	Nicotinic acid alkaloids
Distribution of 1-Methyl nicotinamide in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting 1-Methyl nicotinamide
External Links
Pubchem CID	457
ChEBI ID	16797
KEGG ID	C02918
HMDB ID	HMDB0000699
PhytoHub DB	PHUB002590
Spectral data for 1-Methyl nicotinamide standards
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 1-Methyl nicotinamide

Rxn ID	KEGG Reaction	Enzyme
R01269	S-Adenosyl-L-methionine + Nicotinamide + H+ <=> S-Adenosyl-L-homocysteine + 1-Methylnicotinamide	S-Adenosyl-L-methionine:nicotinamide N-methyltransferase
R04085	1-Methylnicotinamide + Oxygen + H2O <=> N1-Methyl-4-pyridone-5-carboxamide + Hydrogen peroxide + H+	Aldehyde:oxygen oxidoreductase
R08408	1-Methylnicotinamide + Oxygen + H2O <=> N1-Methyl-2-pyridone-5-carboxamide + Hydrogen peroxide + H+	Aldehyde:oxygen oxidoreductase

Table of KEGG human pathways containing 1-Methyl nicotinamide

Pathway ID	Human Pathway	# of reactions
hsa00760	Nicotinate and nicotinamide metabolism	3