Metabolomics Structure Database

 
MW REGNO: 37168
Common Name:Thymine
Systematic Name:5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Synonyms: [PubChem Synonyms]
Exact Mass:
126.0429 (neutral)    Calculate m/z:
Formula:C5H6N2O2
InChIKey:RWQNBRDOKXIBIV-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Diazines [C0001346]
ClassyFire subclass:Pyrimidines and pyrimidine derivatives [C0000075]
ClassyFire direct parent:Pyrimidones [C0000291]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:1135
CHEBI ID:17821
HMDB ID:HMDB0000262
KEGG ID:C00178
Chemspider ID:1103
METLIN ID:290
MetaCyc ID:THYMINE
EPA CompTox DB:DTXCID50210536

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

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