Chem
J-GLOBAL ID：200907028548449512   Nikkaji number：J1.068.794B

6-OH-FAD

6-ヒドロキシ-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： C27H33N9O16P2
Molecular formula furigana： C27-H33-N9-O16-P2
Molecular weight： 801.556
InChI： InChI=1S/C27H33N9O16P2/c1-9-3-11-15(18(39)10(9)2)32-17-24(33-27(44)34-25(17)43)35(11)4-12(37)19(40)13(38)5-49-53(45,46)52-54(47,48)50-6-14-20(41)21(42)26(51-14)36-8-31-16-22(28)29-7-30-23(16)36/h3,7-8,12-14,19-21,26,37-42H,4-6H2,1-2H3,(H,45,46)(H,47,48)(H2,28,29,30)(H,34,43,44)/t12-,13+,14+,19-,20+,21+,26+/m0/s1
InChI key： BJSUUWFQAMLNKU-OKXKTURISA-N
SMILES： Cc1cc2n(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)c3nc(=O)[nH]c(=O)c3nc2c(O)c1C
Systematic name  (5)：
  • 6-ヒドロキシリボフラビン5′-[二りん酸P2-(5′-アデノシル)]
  • 6-ヒドロキシリボフラビン5′-(二りん酸β-5′-アデノシル)
  • (6-ヒドロキシリボフラビン-5′-りん酸)(5′-アデニル酸)無水物
  • {[(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}({[ヒドロキシ({[(2R,3S,4S)-2,3,4-トリヒドロキシ-5-{6-ヒドロキシ-7,8-ジメチル-2,4-ジオキソ-2H,3H,4H,10H-ベンゾ[g]プテリジン-10-イル}ペンチル]オキシ})ホスホリル]オキシ})ホスフィン酸
  • {[(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-{6-hydroxy-7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}pentyl]oxy})phosphoryl]oxy})phosphinic acid
Other name (6)：
  • 6-Hydroxyriboflavin 5′-[diphosphoric acid P2-(5′-adenosyl)] ester
  • 6-ヒドロキシ-FAD
  • 6-Hydroxy -FDA
  • 6-Hydroxyriboflavin 5′-(diphosphoric acid β-5′-adenosyl) ester
  • 6-OH-FAD
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