Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	63082
Common Name:	19-HETE
Systematic Name:	(5Z,8Z,11Z,14Z)-19-hydroxy-5,8,11,14-icosatetraenoic acid
Synonyms:	(5Z,8Z,11Z,14Z)-19-hydroxy-5,8,11,14-eicosatetraenoic acid; (all-cis)-19-hydroxy-5,8,11,14-eicosatetraenoic acid; (all-cis)-19-hydroxy-5,8,11,14-icosatetraenoic acid; 19-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid; 19-hydroxy-5Z,8Z,11Z,14Z-icosatetraenoic acid; 19-hydroxyarachidonic acid [PubChem Synonyms]
Exact Mass:	320.2351 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C20H32O3
InChIKey:	XFUXZHQUWPFWPR-TWVHMNNTSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Eicosanoids [FA03]
LIPID MAPS subclass:	Hydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
SMILES:	CC(CCC/C=CC/C=CC/C=CC/C=CCCCC(=O)O)O
Studies:	Available studies(via PubChem CID)

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PubChem CID:	20839325
LIPID MAPS ID:	LMFA03060106
CHEBI ID:	63998

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