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Substance Name: 2'-Deoxynicotinamide adenine dinucleotide
RN: 6697-37-6
InChIKey: RXYYOFBFVPRKQV-HJKWLTBHSA-N

Molecular Weight

  • 647.428
 
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Names and Synonyms

Name of Substance

  • 2'-Deoxynicotinamide adenine dinucleotide

Synonyms

  • 2'-Deoxy NAD
  • 2'-Dnad

Systematic Name

  • 2'-Deoxyadenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3-(aminocarbonyl)-1-beta- D-ribofuranosylpyridinium hydroxide, inner salt

Registry Numbers

CAS Registry Number

  • 6697-37-6

System Generated Number

  • 0006697376

Structure Descriptors

InChI

1S/C21H27N7O13P2/c22-18-15-20(25-8-24-18)28(9-26-15)14-4-11(29)12(39-14)6-37-42(33,34)41-43(35,36)38-7-13-16(30)17(31)21(40-13)27-3-1-2-10(5-27)19(23)32/h1-3,5,8-9,11-14,16-17,21,29-30H,4,6-7H2,(H2,23,32)(H,33,34)(H,35,36)(H2,22,24,25)/t11-,12+,13+,14+,16+,17+,21+/m0/s1

InChIKey

RXYYOFBFVPRKQV-HJKWLTBHSA-N

Smiles

c1[n+](cccc1C(=O)N)[C@H]1[C@H]([O-])[C@H](O)[C@H](O1)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H](O)C[C@@H](O1)n1cnc2c(N)ncnc12