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Substance Name: Nicotinamide 1,N(6)-ethenoadenine dinucleotide
RN: 38806-38-1
InChIKey: JCDBQDNBEQHDHK-BSLNIGMPSA-N

Molecular Weight

  • 687.449
 
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Names and Synonyms

Name of Substance

  • Nicotinamide 1,N(6)-ethenoadenine dinucleotide

Synonyms

  • 1,N(6)-Etheno-NAD
  • Epsilon NAD

Systematic Name

  • Pyridinium, 3-(aminocarbonyl)-1-(5-O-(hydroxy(phosphonooxy)phosphinyl)-beta-D-ribofuranosyl)-, hydroxide, inner salt, 5'-5'-ester with 3-beta-D-ribofuranosyl-3H-imidazo(2,1-i)purine

Registry Numbers

CAS Registry Number

  • 38806-38-1

System Generated Number

  • 0038806381

Structure Descriptors

InChI

1S/C23H27N7O14P2/c24-19(35)11-2-1-4-28(6-11)22-17(33)15(31)12(42-22)7-40-45(36,37)44-46(38,39)41-8-13-16(32)18(34)23(43-13)30-10-26-14-20-25-3-5-29(20)9-27-21(14)30/h1-6,9-10,12-13,15-18,22-23,31-34H,7-8H2,(H3-,24,35,36,37,38,39)/t12-,13-,15-,16-,17-,18-,22-,23-/m1/s1

InChIKey

JCDBQDNBEQHDHK-BSLNIGMPSA-N

Smiles

c1c(C(=O)N)ccc[n+]1[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]1[C@@H](O)[C@H]([C@@H](O1)n1cnc2c1ncn1c2ncc1)O