RefMet Compound Details

MW structure37778 (View MW Metabolite Database details)
RefMet nameNiacinamide
Systematic namepyridine-3-carboxamide
SMILESNC(=O)c1ccc[n]c1
Exact mass122.048013 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC6H6N2OView other entries in RefMet with this formula
InChIInChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChIKeyDFPAKSUCGFBDDF-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassPyridinecarboxylic acids
Sub ClassNicotinamides
Pubchem CID936
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples

Table of KEGG reactions in human pathways involving Niacinamide

Rxn IDKEGG ReactionEnzyme
R10633 NAD+ + Histone N6-acetyl-L-lysine + H2O <=> Nicotinamide + Histone-L-lysine + O-Acetyl-ADP-ribose + H+NAD+ + Histone N6-acetyl-L-lysine + H2O <=> Nicotinamide + Histone-L-lysine + O-Acetyl-ADP-ribose + H+
R01269 S-Adenosyl-L-methionine + Nicotinamide + H+ <=> S-Adenosyl-L-homocysteine + 1-MethylnicotinamideS-Adenosyl-L-methionine:nicotinamide N-methyltransferase
R02294 Nicotinamide-beta-riboside + Orthophosphate <=> Nicotinamide + alpha-D-Ribose 1-phosphateN-Ribosylnicotinamide:orthophosphate ribosyltransferase
R10634 NAD+ + Protein N6-acetyl-L-lysine + H2O <=> Nicotinamide + Protein lysine + O-Acetyl-ADP-ribose + H+NAD+ + Protein N6-acetyl-L-lysine + H2O <=> Nicotinamide + Protein lysine + O-Acetyl-ADP-ribose + H+
R00102 NAD+ + H2O <=> Nicotinamide + ADP-riboseNAD+ glycohydrolase
R01271 Nicotinamide D-ribonucleotide + Diphosphate <=> Nicotinamide + 5-Phospho-alpha-D-ribose 1-diphosphatenicotinamide-D-ribonucleotide:diphosphate phospho-alpha-D-ribosyltransferase

Table of KEGG human pathways containing Niacinamide

Pathway IDHuman Pathway# of reactions
hsa00760 Nicotinate and nicotinamide metabolism 4
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