PPS

3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE


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Chemical Component Summary

Name3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE
Identifiers[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl sulfo hydrogen phosphate
FormulaC10 H15 N5 O13 P2 S
Molecular Weight507.264
TypeNON-POLYMER
Isomeric SMILESc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N
InChIInChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1
InChIKeyGACDQMDRPRGCTN-KQYNXXCUSA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count5
Bond Count48
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB02902 
Name3'-phospho-5'-adenylyl sulfate
Groups experimental
Description3'-phospho-5'-adenylyl sulfate is a key intermediate in the formation by living cells of sulfate esters of phenols, alcohols, steroids, sulfated polysaccharides, and simple esters, such as choline sulfate. It is formed from sulfate ion and ATP in a two-step process. This compound also is an important step in the process of sulfur fixation in plants and microorganisms.
Synonyms
  • PAPS
  • 3'-phospho-5'-adenylyl sulfate
  • 3'-phosphoadenosine 5'-phosphosulfate
  • 3'-phosphoadenylyl sulfate
CAS number482-67-7

Drug Targets

NameTarget SequencePharmacological ActionActions
Estrogen sulfotransferaseMNSELDYYEKFEEVHGILMYKDFVKYWDNVEAFQARPDDLVIATYPKSGT...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 10214
ChEBI CHEBI:17980