Chemical Compound

8-Mercapto-fad

CAS Registry Number 71800-97-0
8-Mercapto-fad chemical structure
Primary Record

8-Mercapto-fad

In stock
6,778 g
Purity
99.0 %
CAS
71800-97-0

Compound Identifiers & Properties

CAS
71800-97-0
PubChem CID
3037229
SMILES
CC1=CC2=NC3=C(NC(=O)NC3=O)N(C2=CC1=S)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O
Canonical SMILES
Cc1cc2nc3c(=O)[nH]c(=O)[nH]c3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c-2cc1=S

Names & Synonyms

  • 8-Mercapto-fad
  • 8-MercaptoFAD
  • AC1MI2IQ
  • C26H31N9O15P2S
  • CID3037229
  • C26-H31-N9-O15-P2-S
  • J634.579D
  • 71800-97-0
  • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-2,3,4-trihydroxy-5-(7-methyl-2,4-dioxo-8-sulfanylidene-1H-benzo[g]pteridin-10-yl)pentyl] hydrogen phosphate
  • 8-Mercapto-8-demethylriboflavin 5 -(diphosphoric acid beta-5 -adenosyl) ester
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3S,4S)-2,3,4-trihydroxy-5-{7-methyl-2,4-dioxo-8-sulfanyl-2H,3H,4H,10H-benzo[g]pteridin-10-yl}pentyl]oxy})phosphoryl]oxy})phosphinic acid
  • Riboflavin 5'-(trihydrogen diphosphate), 8-demethyl-8-mercapto-, P'-5'-ester with adenosine