Metabolomics Structure Database

 
MW REGNO: 49560
Common Name:8-oxoguanine
Systematic Name:6-hydroxy-2-imino-8,9-dihydro-2H-purin-8-one
Synonyms: [PubChem Synonyms]
Exact Mass:
165.0287 (neutral)    Calculate m/z:
Formula:C5H3N5O2
InChIKey:UBKVUFQGVWHZIR-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Imidazopyrimidines [C0001797]
ClassyFire subclass:Purines and purine derivatives [C0000245]
ClassyFire direct parent:Purinones [C0000597]
SMILES:c12=NC(=O)N=c1nc(N)[nH]c2=O
Studies:-

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Human Pathway links:

REACTOME pathways containing this metabolite

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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