Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	63077
Common Name:	18-hydroxy-18-oxo-dinorleukotriene B4
Systematic Name:	(4Z,7R,8E,10E,12Z,14S)-7,14-dihydroxyoctadeca-4,8,10,12-tetraenedioic acid
RefMet Name:	18-Carboxy-dinor-LTB4
Synonyms:	18-COOH dinor LTB4; 18-Carboxy-19,20-dinorleukotriene B4; 18-Cooh-19,20-ltb4; 18-carboxy dinor LTB4; 18-carboxy-dinorleukotriene B4; 18-hydroxy-18-oxo-19,20-dinorleukotriene B4 [PubChem Synonyms]
Exact Mass:	338.1729 (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:	C18H26O6
InChIKey:	XWRIIHRGMKHPHN-USRRKILKSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty alcohols [FA05]
SMILES:	C(=C\C=C/[C@H](CCCC(=O)O)O)/C=C/[C@@H](C/C=C\CCC(=O)O)O
Studies:	Available studies (via RefMet name)

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PubChem CID:	6438938
LIPID MAPS ID:	LMFA01170145
CHEBI ID:	63980

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