Chem
J-GLOBAL ID：200907093090580122   Nikkaji number：J39.053D

FAD

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： C27H33N9O15P2
Molecular formula furigana： C27-H33-N9-O15-P2
Molecular weight： 785.557
InChI： InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChI key： VWWQXMAJTJZDQX-UYBVJOGSSA-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)c2cc1C
Systematic name  (7)：
  • リボフラビン5′-[二りん酸P2-(5′-アデノシル)]
  • リボフラビン5′-二りん酸P2-(5′-アデノシル)
  • (リボフラビン-5′-りん酸)(5′-アデニル酸)無水物
  • リボフラビン5′-(二りん酸β-5′-アデノシル)
  • 10-[1-デオキシ-5-O-(5′-アデニリルホスホノ)-D-リビトール-1-イル]-7,8-ジメチルベンゾ[g]プテリジン-2,4(3H,10H)-ジオン
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Other name (31)：
  • フラビンアデニンジヌクレオチド
  • FAD
  • Flavin adenine dinucleotide
  • フラビニン
  • Fademin
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CAS registry number： 146-14-5
Regulation number (4)：
  • (9)-1170
  • AU7470000
  • EINECS2056631
  • TSCA(146-14-5)
KEGG DRUG： D00005
KEGG COMPOUND： C00016
Application (3)：
ophthalmic remedy ,  metabolic drug ,  metabolite
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