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Substance Name: Thionicotinamide adenine dinucleotide phosphate
RN: 19254-05-8
InChIKey: NYRJSROCIMIKPS-NNYOXOHSSA-N

Molecular Formula

  • C21-H28-N7-O16-P3-S

Molecular Weight

  • 759.4732
 
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Names and Synonyms

Name of Substance

  • Thionicotinamide adenine dinucleotide phosphate

Synonym

  • Thio-nadp

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 19254-05-8

System Generated Number

  • 0019254058

Structure Descriptors

InChI

1S/C21H28N7O16P3S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(43-45(32,33)34)14(30)11(42-21)6-40-47(37,38)44-46(35,36)39-5-10-13(29)15(31)20(41-10)27-3-1-2-9(4-27)18(23)48/h1-4,7-8,10-11,13-16,20-21,29-30H,5-6H2,(H2,23,48)(H,35,36)(H,37,38)(H2,22,24,25)(H2,32,33,34)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

InChIKey

NYRJSROCIMIKPS-NNYOXOHSSA-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)OP(=O)(O)O)O)O)[O-])C(=S)N