Metabolomics Structure Database

 
MW REGNO: 67656
Common Name:LENACIL
Systematic Name:3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
Synonyms:Elbatan; Buracyl; Hexilure; Venzar; Adol (pesticide) [PubChem Synonyms]
Exact Mass:
234.1368 (neutral)    Calculate m/z:
Formula:C13H18N2O2
InChIKey:ZTMKADLOSYKWCA-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Diazines [C0001346]
ClassyFire subclass:Pyrimidines and pyrimidine derivatives [C0000075]
ClassyFire direct parent:Pyrimidones [C0000291]
Massbank MS spectra:View MS spectra
SMILES:C1CCC(CC1)n1c(=O)c2CCCc2[nH]c1=O
Studies:Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:16559
KEGG ID:C11200
Plant Metabolite Hub(Pmhub):MS000002073

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

  logo