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Substance Name: Nicotinic acid adenine dinucleotide
RN: 6450-77-7
UNII: 4Y1TS06J4H
InChIKey: SENPVEZBRZQVST-HISDBWNOSA-N

Note

  • Intermediate in the biosynthesis of NAD.

Molecular Formula

  • C21-H26-N6-O15-P2

Molecular Weight

  • 664.411
 
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Names and Synonyms

Name of Substance

  • Nicotinic acid adenine dinucleotide

Synonyms

  • Deamido-NAD
  • Deamidonicotinamide adenine dinucleoetide
  • UNII-4Y1TS06J4H

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), P'-5'-ester with 3-carboxy-1-beta-D-ribofuranosylpyridinium inner salt

Registry Numbers

CAS Registry Number

  • 6450-77-7

FDA UNII

  • 4Y1TS06J4H

System Generated Number

  • 0006450777

Structure Descriptors

InChI

1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1

InChIKey

SENPVEZBRZQVST-HISDBWNOSA-N

Smiles

O[C@@H]1[C@H](O)[C@@H](CO[P@@](O[P@@](OC[C@H]2O[C@@H](n3cnc4c(ncnc34)N)[C@@H](O)[C@@H]2O)(=O)O)(O)=O)O[C@H]1[n+]1cc(ccc1)C([O-])=O