Metabolomics Structure Database

 
MW REGNO: 37106
Common Name:Hypoxanthine
Systematic Name:7H-purin-6-ol
RefMet Name:Hypoxanthine
Synonyms: [PubChem Synonyms]
Exact Mass:
136.0385 (neutral)    Calculate m/z:
Formula:C5H4N4O
InChIKey:FDGQSTZJBFJUBT-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Imidazopyrimidines [C0001797]
ClassyFire subclass:Purines and purine derivatives [C0000245]
ClassyFire direct parent:Hypoxanthines [C0000246]
Massbank MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:c1[nH]c2c(n1)nc[nH]c2=O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:135398638
CHEBI ID:17368
HMDB ID:HMDB0000157
KEGG ID:C00262
Chemspider ID:768
METLIN ID:83
BMRB ID:bmse000094
MetaCyc ID:HYPOXANTHINE
NP-MRD ID(NMR):NP0000434
EPA CompTox DB:DTXCID6025983
Plant Metabolite Hub(Pmhub):MS000000378

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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