Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0ONH2OHNH2
MW REGNO: 38456
Common Name:5-Hydroxykynurenamine
Systematic Name:3-amino-1-(2-amino-5-hydroxyphenyl)propan-1-one
Synonyms: [PubChem Synonyms]
Exact Mass:
180.0899 (neutral)    Calculate m/z:
Formula:C9H12N2O2
InChIKey:JANBBPTXDKFOQR-UHFFFAOYSA-N
ClassyFire superclass:Organic oxygen compounds
ClassyFire class:Organooxygen compounds
ClassyFire subclass:Carbonyl compounds
ClassyFire direct parent:Alkyl-phenylketones
SMILES:c1cc(c(cc1O)C(=O)CCN)N
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:164719
CHEBI ID:28715
HMDB ID:HMDB0004076
KEGG ID:C05638
Chemspider ID:144400
Plant Metabolite Hub(Pmhub):MS000018802

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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