Metabolomics Structure Database

 
MW REGNO: 78551
Common Name:5-Hydroxy-N-formylkynurenine
Systematic Name:2-amino-4-(2-formamido-5-hydroxy-phenyl)-4-oxo-butanoic acid
RefMet Name:5-Hydroxy-N-formylkynurenine
Synonyms: [PubChem Synonyms]
Exact Mass:
252.0746 (neutral)    Calculate m/z:
Formula:C11H12N2O5
InChIKey:LSTOUSIIVKMJBU-UHFFFAOYSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbonyl compounds [C0001831]
ClassyFire direct parent:Ketones [C0000118]
SMILES:NC(CC(=O)c1cc(O)ccc1NC=O)C(O)=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:440744
CHEBI ID:2065
HMDB ID:HMDB0004086
Chemspider ID:389615

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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