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Substance Name: 3-Aminopyridine adenine dinucleotide
RN: 21106-96-7
InChIKey: NKCBLVMXMCSJQL-HISDBWNOSA-N

Molecular Formula

  • C20-H27-N7-O13-P2

Molecular Weight

  • 635.4173
 
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Names and Synonyms

Name of Substance

  • 3-Aminopyridine adenine dinucleotide

Synonym

  • 3-Apadn

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21106-96-7

System Generated Number

  • 0021106967

Structure Descriptors

InChI

1S/C20H27N7O13P2/c21-9-2-1-3-26(4-9)19-15(30)13(28)10(38-19)5-36-41(32,33)40-42(34,35)37-6-11-14(29)16(31)20(39-11)27-8-25-12-17(22)23-7-24-18(12)27/h1-4,7-8,10-11,13-16,19-20,28-29,31H,5-6,21H2,(H,32,33)(H,34,35)(H2,22,23,24)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1

InChIKey

NKCBLVMXMCSJQL-HISDBWNOSA-N

Smiles

c1cc(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)n4cnc5c4ncnc5N)O)O)O)[O-])N