Metabolomics Structure Database

 
MW REGNO: 42784
Common Name:Famciclovir
Systematic Name:2-[(acetyloxy)methyl]-4-(2-amino-9H-purin-9-yl)butyl acetate
Synonyms: [PubChem Synonyms]
Exact Mass:
321.1437 (neutral)    Calculate m/z:
Formula:C14H19N5O4
InChIKey:GGXKWVWZWMLJEH-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Imidazopyrimidines [C0001797]
ClassyFire subclass:Purines and purine derivatives [C0000245]
ClassyFire direct parent:Purines and purine derivatives [C0000245]
MoNA MS spectra:View MS spectra
SMILES:CC(=O)OCC(CCn1cnc2cnc(N)nc12)COC(=O)C
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:3324
CHEBI ID:4974
HMDB ID:HMDB0014570
Chemspider ID:3207
EPA CompTox DB:DTXCID403038
Plant Metabolite Hub(Pmhub):MS000008146

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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