Chem
J-GLOBAL ID：200907001794660740   Nikkaji number：J692.377A

8-Amino-8-demethylriboflavin 5′-(diphosphoric acid β-5′-adenosyl) ester

8-アミノFAD
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C26H32N10O15P2
Molecular formula furigana： C26-H32-N10-O15-P2
Molecular weight： 786.545
InChI： InChI=1S/C26H32N10O15P2/c1-9-2-11-12(3-10(9)27)35(23-17(32-11)24(42)34-26(43)33-23)4-13(37)18(39)14(38)5-48-52(44,45)51-53(46,47)49-6-15-19(40)20(41)25(50-15)36-8-31-16-21(28)29-7-30-22(16)36/h2-3,7-8,13-15,18-20,25,37-41H,4-6,27H2,1H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t13-,14+,15+,18-,19+,20+,25+/m0/s1
InChI key： WYFWFRKOQITKQL-FFEKMDIOSA-N
SMILES： Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1N
Systematic name  (4)：
  • 8-アミノ-8-デメチルリボフラビン5′-(二りん酸β-5′-アデノシル)
  • (8-アミノ-8-デメチルリボフラビン-5′-りん酸)(5′-アデニル酸)無水物
  • [({[(2R,3S,4S)-5-{8-アミノ-7-メチル-2,4-ジオキソ-2H,3H,4H,10H-ベンゾ[g]プテリジン-10-イル}-2,3,4-トリヒドロキシペンチル]オキシ}(ヒドロキシ)ホスホリル)オキシ]({[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ})ホスフィン酸
  • [({[(2R,3S,4S)-5-{8-amino-7-methyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid
Other name (3)：
  • 8-アミノFAD
  • 8-Amino-8-demethylriboflavin 5′-(diphosphoric acid β-5′-adenosyl) ester
  • (8-Amino-8-demethylriboflavin-5′-phosphoric acid)(5′-adenylic acid)anhydride
Thsaurus map：
Thesaurus Map

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