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ADENOSINE-5'-PHOSPHOSULFATE


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Chemical Component Summary

NameADENOSINE-5'-PHOSPHOSULFATE
Identifiers[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl sulfo hydrogen phosphate
FormulaC10 H14 N5 O10 P S
Molecular Weight427.284
TypeRNA LINKING
Isomeric SMILESc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N
InChIInChI=1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1
InChIKeyIRLPACMLTUPBCL-KQYNXXCUSA-N

Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count5
Bond Count43
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB03708 
NameAdenosine 5'-phosphosulfate
Groups
  • investigational
  • experimental
Description5'-Adenylic acid, monoanhydride with sulfuric acid. The initial compound formed by the action of ATP sulfurylase on sulfate ions after sulfate uptake. Synonyms: adenosine sulfatophosphate; APS.
Synonyms
  • adenosine phosphosulfate
  • 5'-adenylyl sulfate
  • Adenylylsulfate
  • Adenosine-5'-phosphosulfate
  • Adenosine 5'-phosphosulfate
Categories
  • Adenine Nucleotides
  • Heterocyclic Compounds, Fused-Ring
  • Nucleic Acids, Nucleotides, and Nucleosides
  • Nucleotides
  • Purine Nucleotides
CAS number485-84-7

Drug Targets

NameTarget SequencePharmacological ActionActions
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1MEIPGSLCKKVKLSNNAQNWGMQRATNVTYQAHHVSRNKRGQVVGTRGGF...unknown
ATP sulfurylase (Sulfate adenylyltransferase)MVETLPALEIGEDERLDLENLATGAFFPVKGFMTREEALSVAHEMRLPTG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 10238
ChEMBL CHEMBL572546
ChEBI CHEBI:17709