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Substance Name: 5-Methylnicotinamide-adenine dinucleotide
RN: 56541-76-5
InChIKey: RJSCGLJSQBHFOX-SWOWCTPLSA-N

Molecular Formula

  • C22-H29-N7-O14-P2

Molecular Weight

  • 677.4541
 
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Names and Synonyms

Name of Substance

  • 5-Methylnicotinamide-adenine dinucleotide

Synonym

  • 5-Methyl-NAD

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 56541-76-5

System Generated Number

  • 0056541765

Structure Descriptors

InChI

1S/C22H29N7O14P2/c1-9-2-10(19(24)34)4-28(3-9)21-16(32)14(30)11(41-21)5-39-44(35,36)43-45(37,38)40-6-12-15(31)17(33)22(42-12)29-8-27-13-18(23)25-7-26-20(13)29/h2-4,7-8,11-12,14-17,21-22,30-31,33H,5-6H2,1H3,(H2,24,34)(H,35,36)(H,37,38)(H2,23,25,26)/t11-,12-,14-,15-,16-,17-,21-,22-/m1/s1

InChIKey

RJSCGLJSQBHFOX-SWOWCTPLSA-N

Smiles

Cc1cc(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)O)O)O)[O-])C(=O)N