Metabolomics Structure Database

 
MW REGNO: 42230
Common Name:2,3-Diaminosalicylic acid
Systematic Name:2,3-diamino-6-hydroxybenzoic acid
RefMet Name:2,3-Diaminosalicylic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
168.0535 (neutral)    Calculate m/z:
Formula:C7H8N2O3
InChIKey:CGKSFNAGRBJNJO-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Benzene and substituted derivatives [C0002279]
ClassyFire subclass:Benzoic acids and derivatives [C0000176]
ClassyFire direct parent:Aminobenzoic acids [C0002948]
SMILES:c1cc(c(c(c1N)N)C(=O)O)O
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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