PRD_900013

sucrose octasulfate

Created: 2020-05-08
Last modified:  2020-07-29

PRD_900013 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1AFC.

Chemical Details

Formal Charge0
Atom Count77
Chiral Atom Count9
Bond Count78
Aromatic Bond Count0
Toggle HydrogenToggle Labels

Chemical Component Summary

Namesucrose octasulfate
Systematic Name (OpenEye OEToolkits)[(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-disulfooxy-2,5-bis(sulfooxymethyl)oxolan-2-yl]oxy-4,5-disulfooxy-6-(sulfooxymeth yl)oxan-3-yl] hydrogen sulfate
FormulaC12 H22 O35 S8
Molecular Weight982.802
TypeSACCHARIDE

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=S(=O)(O)OC1C(OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O)OC2(OC(C(OS(=O)(=O)O)C2OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O
SMILESCACTVS3.341O[S](=O)(=O)OC[CH]1O[CH](O[C]2(CO[S](O)(=O)=O)O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]2O[S](O)(=O)=O)[CH](O[S](O)(= O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(C(O1)OC2(C(C(C(O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O )(=O)O
Canonical SMILESCACTVS3.341 O[S](=O)(=O)OC[C@H]1O[C@H](O[C@]2(CO[S](O)(=O)=O)O[C@H](CO[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@@H]2O[S](O)(=O)=O)[C@H]( O[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@@H]1O[S](O)(=O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS( =O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
InChIInChI1.03 InChI=1S/C12H22O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20 )21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,2 3,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
InChIKeyInChI1.03 WEPNHBQBLCNOBB-UGDNZRGBSA-N

Drug Info: DrugBank

DrugBank IDDB01901 
NameSucrosofate
Groups experimental
Synonyms
  • Sucrosofate potassium
  • Sucrosofate
  • Sucrose octasulfate
Categories
  • Anti-Ulcer Agents
  • Carbohydrates
  • Disaccharides
  • Gastrointestinal Agents
  • Oligosaccharides
CAS number57680-56-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Fibroblast growth factor receptor 2MVSWGRFICLVVVTMATLSLARPSFSLVEDTTLEPEEPPTKYQISQPEVY...unknownligand
Fibroblast growth factor 1MAEGEITTFTALTEKFNLPPGNYKKPKLLYCSNGGHFLRILPDGTVDGTR...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 444237
ChEMBL CHEMBL1235872