Chem
J-GLOBAL ID：200907087702270080   Nikkaji number：J667.336H

3-(Carboxylato)-1-[5-O-[(5′-adenylyloxy)oxylatophosphinyl]-β-D-ribofuranosyl]pyridinium

3-(カルボキシラト)-1-[5-O-[(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]ピリジニウム
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： C21H25N5[N+]O13[O-]2P2
Molecular formula furigana： C21-H25-N6-O15-P2
Molecular weight： 663.406
InChI： InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p-1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
InChI key： SENPVEZBRZQVST-HISDBWNOSA-M
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(=O)[O-])[C@@H](O)[C@H]1O
Systematic name  (3)：
  • 3-(カルボキシラト)-1-[5-O-[(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]ピリジニウム
  • 1-[(2R,3R,4S,5R)-5-{[({[(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)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-カルボキシラート
  • 1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-1λ5-pyridin-1-ylium-3-carboxylate
Other name (1)：
  • 3-(Carboxylato)-1-[5-O-[(5′-adenylyloxy)oxylatophosphinyl]-β-D-ribofuranosyl]pyridinium
Thsaurus map：
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