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Substance Name: 3-Aminopyridine 1,N(6)-ethenoadenine dinucleotide
RN: 82773-63-5
InChIKey: JVELNHZMYGAELO-RBEMOOQDSA-N

Molecular Weight

  • 659.439
 
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Names and Synonyms

Name of Substance

  • 3-Aminopyridine 1,N(6)-ethenoadenine dinucleotide

Synonym

  • 3-Aeadt

Systematic Name

  • Pyridinium, 3- amino-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

  • 82773-63-5

System Generated Number

  • 0082773635

Structure Descriptors

InChI

1S/C22H27N7O13P2/c23-11-2-1-4-27(6-11)21-17(32)15(30)12(40-21)7-38-43(34,35)42-44(36,37)39-8-13-16(31)18(33)22(41-13)29-10-25-14-19-24-3-5-28(19)9-26-20(14)29/h1-6,9-10,12-13,15-18,21-22,30-33H,7-8,23H2,(H-,34,35,36,37)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1

InChIKey

JVELNHZMYGAELO-RBEMOOQDSA-N

Smiles

c1ccc(c[n+]1[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(O[P@@](O)(OC[C@@H]1[C@@H](O)[C@H]([C@@H](O1)n1cnc2c1ncn1c2ncc1)O)=O)(=O)[O-])N