Metabolomics Structure Database

 
MW REGNO: 2380
Common Name:PGH2
Systematic Name:9S,11R-epidioxy-15S-hydroxy-5Z,13E-prostadienoic acid
RefMet Name:PGH2
Synonyms:Prostaglandin H2 [PubChem Synonyms]
Exact Mass:
352.2250 (neutral)    Calculate m/z:
Formula:C20H32O5
InChIKey:YIBNHAJFJUQSRA-YNNPMVKQSA-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\CCCC(=O)O)[C@@H]2C[C@H]1OO2
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:445049
LIPID MAPS ID:LMFA03010010
CHEBI ID:15554
HMDB ID:HMDB0001381
KEGG ID:C00427
Chemspider ID:392800
METLIN ID:3495
MetaCyc ID:PROSTAGLANDIN-H2
Plant Metabolite Hub(Pmhub):MS000016868

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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