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Substance Name: 3,4-Dimethylpyridine adenine dinucleotide
RN: 102686-21-5
InChIKey: NDJMRNDYWSNOQN-RBEMOOQDSA-N

Note

  • Pyridinium analog of NAD.

Molecular Formula

  • C22-H30-N6-O13-P2

Molecular Weight

  • 648.456
 
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Names and Synonyms

Name of Substance

  • 3,4-Dimethylpyridine adenine dinucleotide

Synonym

  • 3,4-Dmpad

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3,4-dimethyl-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt

Registry Numbers

CAS Registry Number

  • 102686-21-5

System Generated Number

  • 0102686215

Structure Descriptors

InChI

1S/C22H30N6O13P2/c1-10-3-4-27(5-11(10)2)21-17(31)15(29)12(39-21)6-37-42(33,34)41-43(35,36)38-7-13-16(30)18(32)22(40-13)28-9-26-14-19(23)24-8-25-20(14)28/h3-5,8-9,12-13,15-18,21-22,29-32H,6-7H2,1-2H3,(H3-,23,24,25,33,34,35,36)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1

InChIKey

NDJMRNDYWSNOQN-RBEMOOQDSA-N

Smiles

P(O[P@@](=O)(OC[C@@H]1[C@H]([C@@H](O)[C@@H](O1)n1cnc2c1ncnc2N)O)O)([O-])(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[n+]1cc(c(cc1)C)C)O)O