Chemical Compound

Thionicotinamide adenine dinucleotide

CAS Registry Number 4090-29-3
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Thionicotinamide adenine dinucleotide chemical structure
Primary Record

Thionicotinamide adenine dinucleotide

In stock
3,940 g
Purity
98.7 %
CAS
4090-29-3

Compound Identifiers & Properties

CAS
4090-29-3
PubChem CID
90472806
SMILES
C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)C(=S)N
Canonical SMILES
NC(=S)c1ccc[n+]([C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@H]2O)c1

Names & Synonyms

  • Thionicotinamide adenine dinucleotide
  • MFCD00079609
  • THIONICOTINAMIDEADENINEDINUCLEOTIDE
  • 4090-29-3
  • beta-Thionicotinamide adenine dinucleotide, oxidised form
  • Thionicotinamide adenine dinucleotide oxidized form [for Biochemical Research]
  • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphate