Metabolomics Structure Database

 
MW REGNO: 43275
Common Name:Mercaptopurine
Systematic Name:6,7-dihydro-3H-purine-6-thione
RefMet Name:Mercaptopurine
Synonyms: [PubChem Synonyms]
Exact Mass:
152.0157 (neutral)    Calculate m/z:
Formula:C5H4N4S
InChIKey:GLVAUDGFNGKCSF-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Imidazopyrimidines [C0001797]
ClassyFire subclass:Purines and purine derivatives [C0000245]
ClassyFire direct parent:Purinethiones [C0001998]
Massbank MS spectra:View MS spectra
SMILES:c1[nH]c2c(n1)ncnc2S
Studies:Available studies (via RefMet name)

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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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