Chem
J-GLOBAL ID：200907096746717340   Nikkaji number：J2.060.264C

AADP+

アミノ-NADP+
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： C20H28N6[N+]O15[O-]P3
Molecular formula furigana： C20-H28-N7-O16-P3
Molecular weight： 715.398
InChI： InChI=1S/C20H28N7O16P3/c21-9-2-1-3-26(4-9)19-15(30)13(28)10(40-19)5-38-45(34,35)43-46(36,37)39-6-11-14(29)16(42-44(31,32)33)20(41-11)27-8-25-12-17(22)23-7-24-18(12)27/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6,21H2,(H5-,22,23,24,31,32,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
InChI key： JRGQEVHOKKZPIX-HISDBWNOSA-N
SMILES： Nc1ccc[n+](c1)[C@@H]1O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@H]([C@H](OP(=O)(O)O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • 1-[5-O-[(2′-O-ホスホノ-5′-アデニリルオキシ)オキシラトホスフィニル]-β-D-リボフラノシル]-3-アミノピリジニウム
  • 3-アミノ-1-[(2R,3R,4S,5R)-5-{[({[(2R,3R,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3-ヒドロキシ-4-(ホスホノオキシ)オキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル ホスホナト)オキシ]メチル}-3,4-ジヒドロキシオキソラン-2-イル]-1λ5-ピリジン-1-イリウム
  • 3-amino-1-[(2R,3R,4S,5R)-5-{[({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-1λ5-pyridin-1-ylium
Other name (4)：
  • 1-[5-O-[(2′-O-Phosphono-5′-adenylyloxy)oxylatophosphinyl]-β-D-ribofuranosyl]-3-aminopyridinium
  • AADP+
  • アミノ-NADP+
  • Amino-NADP+
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