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Substance Name: Nicotinamide-(S-methylmercury-thioinosine) dinucleotide
RN: 57229-26-2
InChIKey: OFOWFUJXQAMQHU-WUEGHLCSSA-M

Molecular Formula

  • C22-H28-Hg-N6-O14-P2-S

Molecular Weight

  • 895.0952
 
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Names and Synonyms

Name of Substance

  • Nicotinamide-(S-methylmercury-thioinosine) dinucleotide

Systematic Name

  • Mercury, methyl(6-thioinosine 5'-(trihydrogen diphosphate) 5'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridiniumato(2-))-

Registry Numbers

CAS Registry Number

  • 57229-26-2

System Generated Number

  • 0057229262

Structure Descriptors

InChI

1S/C21H26N6O14P2S.CH3.Hg/c22-17(32)9-2-1-3-26(4-9)20-15(30)13(28)10(39-20)5-37-42(33,34)41-43(35,36)38-6-11-14(29)16(31)21(40-11)27-8-25-12-18(27)23-7-24-19(12)44;;/h1-4,7-8,10-11,13-16,20-21,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,44);1H3;/q;;+1/p-1/t10-,11-,13-,14-,15-,16-,20-,21-;;/m1../s1

InChIKey

OFOWFUJXQAMQHU-WUEGHLCSSA-M

Smiles

C[Hg]Sc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[n+]5cccc(c5)C(=O)N)[C@@H](O)[C@H]3O