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Substance Name: 3-Iodopyridine-adenine dinucleotide phosphate
RN: 71187-05-8
InChIKey: CQFJPMRGOPHIEG-HISDBWNOSA-N

Molecular Weight

  • 826.273
 
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Names and Synonyms

Name of Substance

  • 3-Iodopyridine-adenine dinucleotide phosphate

Synonym

  • 3-Inadp

Systematic Name

  • Adenosine-5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), 5'-5'-ester with 3-iodo-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt

Registry Numbers

CAS Registry Number

  • 71187-05-8

System Generated Number

  • 0071187058

Structure Descriptors

InChI

1S/C20H26IN6O16P3/c21-9-2-1-3-26(4-9)19-14(29)13(28)10(40-19)5-38-15-11(6-39-46(36,37)43-45(33,34)35)41-20(16(15)42-44(30,31)32)27-8-25-12-17(22)23-7-24-18(12)27/h1-4,7-8,10-11,13-16,19-20,28H,5-6H2,(H,36,37)(H2,22,23,24)(H2,30,31,32)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1

InChIKey

CQFJPMRGOPHIEG-HISDBWNOSA-N

Smiles

c1c(I)ccc[n+]1[C@@H]1O[C@H](CO[C@@H]2[C@@H](CO[P@@](OP(=O)(O)O)(=O)O)O[C@H]([C@@H]2OP(=O)(O)O)n2cnc3c(N)ncnc23)[C@H]([C@H]1[O-])O