Metabolomics Structure Database

 
MW REGNO: 2672
Common Name:12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid
Systematic Name:12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid
Synonyms:5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, [S-(E,Z,Z,Z)]-; 12(S)-5,8,10,14-Hydroxyeicosatetraenoic acid; 12(S)-HETE; 12-HETE; 12-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12-Hydroxyeicosatetraenoic acid; 12-L-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12S- [PubChem Synonyms]
Exact Mass:
320.2351 (neutral)    Calculate m/z:
Formula:C20H32O3
InChIKey:ZNHVWPKMFKADKW-JKNRQTOGSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Eicosanoids [FA03]
LIPID MAPS subclass:Hydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
SMILES:CCCCC/C=C\C[C@@H](/C=C\C=C/C/C=C/CCCC(=O)O)O
Studies:-

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External database links:

PubChem CID:5312984
LIPID MAPS ID:LMFA03060064

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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