PUR

PURINE RIBOSIDE

Created:1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge1
Atom Count31
Chiral Atom Count4
Bond Count33
Aromatic Bond Count10
2D diagram of PUR

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Chemical Component Summary

NamePURINE RIBOSIDE
Systematic Name (OpenEye OEToolkits)(2R,3S,4R,5R)-2-(hydroxymethyl)-5-purin-7-ium-9-yl-oxolane-3,4-diol
FormulaC10 H13 N4 O4
Molecular Weight253.235
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OCC3OC(n2c[nH+]c1cncnc12)C(O)C3O
SMILESCACTVS3.341OC[CH]1O[CH]([CH](O)[CH]1O)n2c[nH+]c3cncnc23
SMILESOpenEye OEToolkits1.5.0c1c2c(ncn1)n(c[nH+]2)C3C(C(C(O3)CO)O)O
Canonical SMILESCACTVS3.341 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c[nH+]c3cncnc23
Canonical SMILESOpenEye OEToolkits1.5.0 c1c2c(ncn1)n(c[nH+]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChIInChI1.03 InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/p+1/t6-,7-,8-,10-/m1/s1
InChIKeyInChI1.03 MRWXACSTFXYYMV-FDDDBJFASA-O

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB04440 
NameNebularine
Groups experimental
Synonyms
  • Nebularine
  • Purine nucleoside
  • N-D-Ribosylpurine
  • Purine riboside
Categories
  • Anti-Infective Agents
  • Antineoplastic Agents
  • Heterocyclic Compounds, Fused-Ring
  • Nucleic Acids, Nucleotides, and Nucleosides
  • Nucleosides
CAS number550-33-4

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Adenosine deaminaseMAQTPAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVI...unknowninhibitor
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 5289230