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Substance Name: Carbanicotinamide adenine dinucleotide
RN: 112345-60-5
InChIKey: DGPLSUKWXXSBCU-VGXGLJSLSA-N

Molecular Formula

  • C22-H29-N7-O13-P2

Molecular Weight

  • 661.455
 
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Names and Synonyms

Name of Substance

  • Carbanicotinamide adenine dinucleotide

Synonym

  • Carba-NAD

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), 5'-((4-(3-(aminocarbonyl)pyridinio)-2,3-dihydroxycyclopentyl)methyl) ester, hydroxide, inner salt, (1R-(1alpha,2beta,3beta,4alpha))-

Registry Numbers

CAS Registry Number

  • 112345-60-5

System Generated Number

  • 0112345605

Structure Descriptors

InChI

1S/C22H29N7O13P2/c23-19-14-21(26-8-25-19)29(9-27-14)22-18(33)17(32)13(41-22)7-40-44(37,38)42-43(35,36)39-6-11-4-12(16(31)15(11)30)28-3-1-2-10(5-28)20(24)34/h1-3,5,8-9,11-13,15-18,22,30-33H,4,6-7H2,(H5-,23,24,25,26,34,35,36,37,38)/t11-,12-,13-,15-,16+,17-,18-,22-/m1/s1

InChIKey

DGPLSUKWXXSBCU-VGXGLJSLSA-N

Smiles

[n+]1(cccc(c1)C(N)=O)[C@@H]1C[C@@H]([C@H](O)[C@H]1O)COP(O[P@@](OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc2c(ncnc12)N)(=O)O)([O-])=O