Metabolomics Structure Database

 
MW REGNO: 65103
Common Name:5-aminosalicyluric acid
Systematic Name:N-(5-amino-2-hydroxybenzoyl)glycine
RefMet Name:5-Aminosalicyluric acid
Synonyms: [PubChem Synonyms]
Exact Mass:
210.0641 (neutral)    Calculate m/z:
Formula:C9H10N2O4
InChIKey:HZXFAYOGIGTEDC-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Benzene and substituted derivatives [C0002279]
ClassyFire subclass:Benzoic acids and derivatives [C0000176]
ClassyFire direct parent:Hippuric acids [C0001318]
SMILES:Nc1cc(C(=O)NCC(O)=O)c(O)cc1
Studies:Available studies (via RefMet name)

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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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