Chemical Compound

Thio-NAD

CAS Registry Number 4090-29-3
Thio-NAD chemical structure
Primary Record

Thio-NAD

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

Compound Identifiers & Properties

CAS
4090-29-3
PubChem CID
3081386
SMILES
C1=CC(=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)N4C=NC5=C(N=CN=C54)N)O)O)O)[O-])C(=S)N
Canonical SMILES
NC(=S)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2[O-])c1

Names & Synonyms

  • Thio-NAD
  • Thionicotinamide nad
  • Thionicotinamide-NAD
  • Thionicotinamide adenine dinucleotide
  • Thionicotinamide-DPN
  • AC1MIWTR
  • RefChem:189583
  • EINECS 223-828-6
  • CXONXVMMINSQBV-NNYOXOHSSA-N
  • SCHEMBL28939717
  • SCHEMBL29360903
  • C21H27N7O13P2S
  • 4090-29-3
  • MFCD00079609
  • CID3081386
  • THIONICOTINAMIDEADENINEDINUCLEOTIDE
  • C21-H27-N7-O13-P2-S
  • A873201
  • Thionicotinamide Adenine Dinucleotide oxidized form
  • (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamothioylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
  • B0084-116717
  • Adenosine 5'-(trihydrogen diphosphate), 5',5'-ester with 3-(aminothioxomethyl)-1-beta-D-ribofuranosylpyridinium ate
  • Adenosine 5'-(trihydrogen diphosphate), 5'.fwdarw.5'-ester with 3-(aminothioxomethyl)-1-.beta.-D-ribofuranosylpyridinium hydroxide, inner salt
  • Adenosine 5'-(trihydrogen diphosphate), 5'5'-ester with 3-(aminothioxomethyl)-1-beta-D-ribofuranosylpyridinium--ate