RefMet Compound Details

MW structure71883 (View MW Metabolite Database details)
RefMet nameNAD+
Systematic nameNicotinamide adenine dinucleotide
SMILESNC(=O)c1c[n+](ccc1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n]2c[n]c3c2[n]c[n]c3N)[C@
@H](O)[C@H]1O
Exact mass664.116954 (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
FormulaC21H28N7O14P2View other entries in RefMet with this formula
InChIInChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20
(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,
16-,20-,21-/m1/s1
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-OView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassNicotinamides
Sub ClassNicotinamide dinucleotides
Pubchem CID5893
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 NAD+

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+
R00103 NAD+ + H2O <=> AMP + Nicotinamide D-ribonucleotideNAD+ phosphohydrolase
R00189 ATP + Deamino-NAD+ + Ammonia <=> AMP + Diphosphate + NAD+deamido-NAD+:ammonia ligase (AMP-forming)
R00112 NADPH + NAD+ <=> NADP+ + NADHNADPH:NAD+ oxidoreductase
R00137 ATP + Nicotinamide D-ribonucleotide <=> Diphosphate + NAD+ATP:nicotinamide-nucleotide adenylyltransferase
R00104 ATP + NAD+ <=> ADP + NADP+ATP:NAD+ 2'-phosphotransferase
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
R00257 ATP + Deamino-NAD+ + L-Glutamine + H2O <=> AMP + Diphosphate + NAD+ + L-GlutamateDeamido-NAD+:L-glutamine amido-ligase (AMP-forming)

Table of KEGG human pathways containing NAD+

Pathway IDHuman Pathway# of reactions
hsa00760 Nicotinate and nicotinamide metabolism 6
  logo