Metabolomics Structure Database

 
MW REGNO: 2402
Common Name:11beta-PGF2
Systematic Name:9S,11S,15S-trihydroxy-5Z,13E-prostadienoic acid
RefMet Name:11beta-PGF2
Synonyms:11beta-Prostaglandin F2; 9alpha,11beta-PGF2 [PubChem Synonyms]
Exact Mass:
354.2406 (neutral)    Calculate m/z:
Formula:C20H34O5
InChIKey:PXGPLTODNUVGFL-ZWAKLXPCSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Eicosanoids [FA03]
LIPID MAPS subclass:Prostaglandins [FA0301]
MoNA MS spectra:View MS spectra
SMILES:CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@@H]1O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5280886
LIPID MAPS ID:LMFA03010036
CHEBI ID:27595
HMDB ID:HMDB0010199
KEGG ID:C05959
Chemspider ID:4444409

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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