Metabolomics Structure Database

 
MW REGNO: 2390
Common Name:PGK2
Systematic Name:9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid
RefMet Name:PGK2
Synonyms:Prostaglandin K2 [PubChem Synonyms]
Exact Mass:
350.2093 (neutral)    Calculate m/z:
Formula:C20H30O5
InChIKey:LGMXPVXJSFPPTQ-DJUJBXLVSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Eicosanoids [FA03]
LIPID MAPS subclass:Prostaglandins [FA0301]
SMILES:CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C/C=CCCCC(=O)O)C(=O)CC1=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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