Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	71786
Common Name:	2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methyl-hydroquinone
Systematic Name:	2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methyl-hydroquinone
RefMet Name:	Ubiquinol-2
Synonyms:	[PubChem Synonyms]
Exact Mass:	320.1990 (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:	C19H28O4
InChIKey:	RNUCUWWMTTWKAH-JLHYYAGUSA-N
LIPID MAPS Category:	Prenol Lipids
LIPID MAPS mainclass:	Quinones and hydroquinones
LIPID MAPS subclass:	Ubiquinones
SMILES:	CC(=CCC/C(=C/Cc1c(C)c(c(c(c1O)OC)OC)O)/C)C
Studies:	Available studies (via RefMet name)

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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