GLL

GLYCOLURIL

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

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count17
Aromatic Bond Count0
2D diagram of GLL
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Chemical Component Summary

NameGLYCOLURIL
Systematic Name (OpenEye OEToolkits)1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dione
FormulaC4 H6 N4 O2
Molecular Weight142.116
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1NC2NC(=O)NC2N1
SMILESCACTVS3.341O=C1N[CH]2NC(=O)N[CH]2N1
SMILESOpenEye OEToolkits1.5.0C12C(NC(=O)N1)NC(=O)N2
Canonical SMILESCACTVS3.341 O=C1N[C@@H]2NC(=O)N[C@@H]2N1
Canonical SMILESOpenEye OEToolkits1.5.0 C12C(NC(=O)N1)NC(=O)N2
InChIInChI1.03 InChI=1S/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)/t1-,2+
InChIKeyInChI1.03 VPVSTMAPERLKKM-XIXRPRMCSA-N

Drug Info: DrugBank

DrugBank IDDB03533 
NameAcetyleneurea
Groups experimental
Synonyms
  • cis-glycoluril
  • Glyoxaldiurene
  • Glyoxaldiureine
  • Glycoluril
  • Acetyleneurea
Categories
  • Heterocyclic Compounds, Fused-Ring
  • Imidazoles
CAS number496-46-8

Drug Targets

NameTarget SequencePharmacological ActionActions
StreptavidinMRKIVVAAIAVSLTTVSITASASADPSKDSKAQVSAAEAGITGTWYNQLG...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
CCDC/CSD DIUREA04, DIUREA05, DIUREA10, DIUREA11, DIUREA06
COD 2010306