Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1682
Common Name:	8-methoxy-13-hydroxy-9,11-octadecadienoic acid
Systematic Name:	8-methoxy-13-hydroxy-9,11-octadecadienoic acid
RefMet Name:	8-Methoxy-13-hydroxy-9,11-octadecadienoic acid
Synonyms:	[PubChem Synonyms]
Exact Mass:	326.2457 (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:	C19H34O4
InChIKey:	FPDXRJMUHIDIMS-FVIOEUFFSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Methoxy fatty acids [FA0108]
SMILES:	CCCCCC(/C=C/C=C/C(CCCCCCC(=O)O)OC)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	5283022
LIPID MAPS ID:	LMFA01080002

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