RefMet Compound Details

MW structure71883 (View MW Metabolite Database details)
RefMet nameNAD+
Systematic nameNicotinamide adenine dinucleotide
SMILESc1cc(c[n+](c1)[C@H]1[C@@H]([C@@H]([C@@H](COP(=O)([O-])OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@H](n3cnc4c(N)ncnc34)O2)
O)O)O1)O)O)C(=O)N
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Exact mass663.109129 (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
FormulaC21H27N7O14P2View 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-NView 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)

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 8
hsa01100 Metabolic pathways 3
hsa01240 Biosynthesis of cofactors 1
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