Metabolomics Structure Database

 
MW REGNO: 2582
Common Name:12-oxo-LTB4
Systematic Name:5S-hydroxy-12-keto-6Z,8E,10E,14Z-eicosatetraenoic acid
RefMet Name:12-Oxo-LTB4
Synonyms:12-oxo-Leukotriene B4 [PubChem Synonyms]
Exact Mass:
334.2144 (neutral)    Calculate m/z:
Formula:C20H30O4
InChIKey:SJVWVCVZWMJXOK-NOJHDUNKSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Eicosanoids [FA03]
LIPID MAPS subclass:Leukotrienes [FA0302]
SMILES:CCCCC/C=CCC(=O)/C=C/C=C/C=C[C@H](CCCC(=O)O)O
Studies:Available studies (via RefMet name)

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Human Pathway links:

HMDB and KEGG pathways containing this metabolite

REACTOME pathways containing this metabolite

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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