Metabolomics Structure Database

 
MW REGNO: 3449
Common Name:4-hydroxynonenal
Systematic Name:4-hydroxy-2E-nonenal
RefMet Name:4-Hydroxynonenal
Synonyms:4-HNE [PubChem Synonyms]
Exact Mass:
156.1150 (neutral)    Calculate m/z:
Formula:C9H16O2
InChIKey:JVJFIQYAHPMBBX-FNORWQNLSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty aldehydes [FA06]
SMILES:CCCCCC(/C=C/C=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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