RefMet Compound Details

RefMet ID	RM0156450
MW structure	37778 (View MW Metabolite Database details)
RefMet name	Niacinamide
Systematic name	pyridine-3-carboxamide
SMILES	c1cc(cnc1)C(=O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	122.048013 (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	C6H6N2O	View other entries in RefMet with this formula
InChI	InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChIKey	DFPAKSUCGFBDDF-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Alkaloids
Main Class	Pyridine alkaloids
Sub Class	Nicotinic acid alkaloids
Pubchem CID	936
ChEBI ID	17154
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Niacinamide

Rxn ID	KEGG Reaction	Enzyme
R00102	NAD+ + H2O <=> Nicotinamide + ADP-ribose	NAD+ glycohydrolase
R00119	NADP+ + Nicotinate <=> Nicotinamide + Nicotinic acid adenine dinucleotide phosphate	NADP+:nicotinate ADP-ribosyltransferase
R01269	S-Adenosyl-L-methionine + Nicotinamide + H+ <=> S-Adenosyl-L-homocysteine + 1-Methylnicotinamide	S-Adenosyl-L-methionine:nicotinamide N-methyltransferase
R01271	Nicotinamide D-ribonucleotide + Diphosphate <=> Nicotinamide + 5-Phospho-alpha-D-ribose 1-diphosphate	nicotinamide-D-ribonucleotide:diphosphate phospho-alpha-D-ribosyltransferase
R01273	Nicotinamide-beta-riboside + H2O <=> Nicotinamide + D-Ribose	N-ribosylnicotinamide ribohydrolase
R02294	Nicotinamide-beta-riboside + Orthophosphate <=> Nicotinamide + alpha-D-Ribose 1-phosphate	N-Ribosylnicotinamide:orthophosphate ribosyltransferase
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+
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+

Table of KEGG human pathways containing Niacinamide

Pathway ID	Human Pathway	# of reactions
hsa00760	Nicotinate and nicotinamide metabolism	7
hsa01100	Metabolic pathways	3