Metabolomics Structure Database

 
MW REGNO: 2629
Common Name:5S-HETE
Systematic Name:5S-hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid
RefMet Name:5S-HETE
Synonyms: [PubChem Synonyms]
Exact Mass:
320.2351 (neutral)    Calculate m/z:
Formula:C20H32O3
InChIKey:KGIJOOYOSFUGPC-JGKLHWIESA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Eicosanoids [FA03]
LIPID MAPS subclass:Hydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
MoNA MS spectra:View MS spectra
SMILES:CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5280733
LIPID MAPS ID:LMFA03060002
CHEBI ID:28209
HMDB ID:HMDB0011134
KEGG ID:C04805
Chemspider ID:4444314
METLIN ID:6554
Plant Metabolite Hub(Pmhub):MS000008762

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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