Metabolomics Structure Database

 
MW REGNO: 2624
Common Name:11,12,15-THETA
Systematic Name:11,12,15S-trihydroxy-5Z,8Z,13E-eicosatrienoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
354.2406 (neutral)    Calculate m/z:
Formula:C20H34O5
InChIKey:PRMWQIVYOYCJQC-YZSNCDGGSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Eicosanoids [FA03]
LIPID MAPS subclass:Hydroxy/hydroperoxyeicosatrienoic acids [FA0305]
SMILES:CCCCC[C@@H](/C=C/C(C(C/C=CC/C=CCCCC(=O)O)O)O)O
Studies:Available studies(via PubChem CID)

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Human Pathway links:

HMDB and KEGG 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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