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Substance Name: 3-Iodopyridine-adenine dinucleotide
RN: 56541-70-9
InChIKey: JCBHIKMAWHWWIU-HISDBWNOSA-N

Molecular Weight

  • 746.294
 
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Names and Synonyms

Name of Substance

  • 3-Iodopyridine-adenine dinucleotide

Synonym

  • 3-Inad

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 56541-70-9

System Generated Number

  • 0056541709

Structure Descriptors

InChI

1S/C20H25IN6O13P2/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,5-6H2,(H,32,33)(H,34,35)(H2,22,23,24)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1

InChIKey

JCBHIKMAWHWWIU-HISDBWNOSA-N

Smiles

c1c(I)ccc[n+]1[C@@H]1O[C@@H]([C@H]([C@H]1[O-])O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1cnc2c(N)ncnc12