Metabolomics Structure Database

 
MW REGNO: 2499
Common Name:1a,1b-dihomo-PGJ2
Systematic Name:1a,1b-dihomo-11-oxo-15S-hydroxy-5Z,9,13E-prostatrienoic acid
RefMet Name:1a,1b-Dihomo-PGJ2
Synonyms:1a,1b-dihomo-Prostaglandin J2 [PubChem Synonyms]
Exact Mass:
362.2457 (neutral)    Calculate m/z:
Formula:C22H34O4
InChIKey:BVXBMWOFDUUSEM-VADMTLSYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Eicosanoids [FA03]
LIPID MAPS subclass:Prostaglandins [FA0301]
SMILES:CCCCC[C@@H](O)/C=C/[C@H]1[C@H](C/C=C\CCCCCC(O)=O)C=CC1=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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