NAD

NICOTINAMIDE-ADENINE-DINUCLEOTIDE

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is present as a standalone ligand in 1,909 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 35 entries

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Chemical Component Summary
Name	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Identifiers	[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate
Formula	C₂₁ H₂₇ N₇ O₁₄ P₂
Molecular Weight	663.425
Type	NON-POLYMER
Isomeric SMILES	c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
InChI	InChI=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)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKey	BAWFJGJZGIEFAR-NNYOXOHSSA-N

Chemical Details
Formal Charge	0
Atom Count	71
Chiral Atom Count	9
Bond Count	75
Aromatic Bond Count	16

Drug Info: DrugBank

DrugBank ID	DB14128 ?
Name	Nadide
Groups	experimental
Description	A coenzyme composed of ribosylnicotinamide 5'-diphosphate coupled to adenosine 5'-phosphate by pyrophosphate linkage. It is found widely in nature and is involved in numerous enzymatic reactions in which it serves as an electron carrier by being alternately oxidized (NAD+) and reduced (NADH). (Dorland, 27th ed)
Synonyms	beta-NAD+ Cozymase I beta-Diphosphopyridine nucleotide Diphosphopyridine nucleotide Nicotinamide dinucleotide Oxidized diphosphopyridine nucleotide Nadida NAD NAD+ Coenzyme I Codehydrogenase I Nadidum beta-Nicotinamide adenine dinucleotide beta-NAD Nicotineamide adenine dinucleotide Nicotinamide adenine dinucleotide Codehydrase I Nicotinamide-adenine dinucleotide DPN Pyridine, nucleotide diphosphate Nadide
Brand Names	Born Hair Bonogen hair care shampoo Bonogen Plus hair care shampoo
Categories	Adenine Nucleotides Coenzymes Enzymes and Coenzymes Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Purine Nucleotides Purines Ribonucleotides
CAS number	53-84-9

Related Resource References

Resource Name	Reference
PubChem	10897651, 73415790, 5892, 5288979
ChEMBL	CHEMBL1234613
ChEBI	CHEBI:44215

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.