NAJ

NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)


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Chemical Component Summary

NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
Identifiers[[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-1-ium-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate
FormulaC21 H27 N7 O14 P2
Molecular Weight663.425
TypeNON-POLYMER
Isomeric SMILESc1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N
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)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-N

Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count8
Bond Count75
Aromatic Bond Count16

Drug Info: DrugBank

DrugBank IDDB14128 
NameNadide
Groups experimental
DescriptionA 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-Diphosphopyridine nucleotide
  • beta-Nicotinamide adenine dinucleotide
  • Cozymase I
  • Codehydrogenase I
  • NAD+
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
CAS number53-84-9

Related Resource References

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