Metabolomics Structure Database

 
MW REGNO: 56328
Common Name:Dodecaethylene glycol
Systematic Name:3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontane-1,35-diol
Synonyms:3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontane-1,35-diol; DODECAETHYLENE GLYCOL [PubChem Synonyms]
Exact Mass:
546.3251 (neutral)    Calculate m/z:
Formula:C24H50O13
InChIKey:WRZXKWFJEFFURH-UHFFFAOYSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Ethers [C0000254]
ClassyFire direct parent:Polyethylene glycols [C0003338]
SMILES:C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
Studies:Available studies(via PubChem CID)

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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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