Metabolomics Structure Database

 
MW REGNO: 51698
Common Name:Plastoquinone-9
Systematic Name:2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione
RefMet Name:Plastoquinone-9
Synonyms:(all-E)-2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatricontanonaenyl)-2,5-cyclohexadiene-1-4-dione; 2,3-dimethyl-5-(solanesyl)-1,4-benzoquinone; Kofler's quinone; PQ-9; plastoquinone 45; plastoquinone A; plastoquinone-9 [PubChem Synonyms]
Exact Mass:
748.6158 (neutral)    Calculate m/z:
Formula:C53H80O2
InChIKey:FKUYMLZIRPABFK-IQSNHBBHSA-N
LIPID MAPS Category:Prenol Lipids
LIPID MAPS mainclass:Quinones and hydroquinones
LIPID MAPS subclass:Other Quinones and hydroquinones
SMILES:CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(=O)C(=C(C)C1=O)C)/C)/C)/C)/C)/C)/C)/C)/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

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