Chem
J-GLOBAL ID：200907075266258747   Nikkaji number：J1.458.941D

Appr-1′′p

ADP-リボース1′′-りん酸
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： C15H24N5O17P3
Molecular formula furigana： C15-H24-N5-O17-P3
Molecular weight： 639.296
InChI： InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(34-14)1-32-39(28,29)37-40(30,31)33-2-6-9(22)11(24)15(35-6)36-38(25,26)27/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
InChI key： CUNFRFHBHMFVPH-KEOHHSTQSA-N
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • アデノシン5′-二りん酸β-(1-O-ホスホノ-5-デオキシ-α-D-リボフラノース-5-イル)
  • {[(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)オキシ](ヒドロキシ)ホスホリル}オキシ)メチル]-3,4-ジヒドロキシオキソラン-2-イル]オキシ}ホスホン酸
  • {[(2R,3R,4S,5R)-5-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]oxy}phosphonic acid
Other name (4)：
  • Adenosine 5′-diphosphoric acid β-(1-O-phosphono-5-deoxy-α-D-ribofuranose-5-yl) ester
  • Appr-1′′p
  • ADP-リボース1′′-りん酸
  • ADP-ribose 1′′-phosphate
Thsaurus map：
Thesaurus Map

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