small molecule

Phosphothiophosphoric Acid-Adenylate Ester

Molecular Formula: C10H16N5O12P3S
Molecular Weight:: 523.247
InChiKey:: NLTUCYMLOPLUHL-FCIPNVEPSA-N
InChi:: InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7+,10+/m0/s1
SMILES:: NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P@](O)(S)=O)[C@H](O)[C@H]1O
IUPAC Name:: ({[({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonothioic acid
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  • Interactors 3
  • Chemical Interactions 6
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