Chem
J-GLOBAL ID：200907081802172028   Nikkaji number：J396.565A

5′-Benzoylphosphoadenosine

5′-ベンゾイルホスホアデノシン
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： C17H18N5O8P
Molecular formula furigana： C17-H18-N5-O8-P
Molecular weight： 451.332
InChI： InChI=1S/C17H18N5O8P/c18-14-11-15(20-7-19-14)22(8-21-11)16-13(24)12(23)10(29-16)6-28-31(26,27)30-17(25)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,23-24H,6H2,(H,26,27)(H2,18,19,20)/t10-,12-,13-,16-/m1/s1
InChI key： PTJTVELTWZMHPG-XNIJJKJLSA-N
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OC(=O)c2ccccc2)[C@@H](O)[C@H]1O
Systematic name  (4)：
  • 5′-アデニル酸ベンゾイル
  • アデノシン5′-(りん酸ベンゾイル)
  • {[(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}(ベンゾイルオキシ)ホスフィン酸
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(benzoyloxy)phosphinic acid
Other name (4)：
  • 5′-Adenylic acid benzoyl ester
  • Adenosine 5′-(phosphoric acid benzoyl) ester
  • 5′-Benzoylphosphoadenosine
  • 5′-ベンゾイルホスホアデノシン
KEGG COMPOUND： C06433
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