Metabolomics Structure Database

 
MW REGNO: 56339
Common Name:Pentaethylene glycol
Systematic Name:3,6,9,12-tetraoxatetradecane-1,14-diol
RefMet Name:Pentaethylene glycol
Synonyms:HO[CH2CH2O]5H; PENTAETHYLENE GLYCOL [PubChem Synonyms]
Exact Mass:
238.1416 (neutral)    Calculate m/z:
Formula:C10H22O6
InChIKey:JLFNLZLINWHATN-UHFFFAOYSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Ethers [C0000254]
ClassyFire direct parent:Polyethylene glycols [C0003338]
SMILES:OCCOCCOCCOCCOCCO
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:62551
CHEBI ID:39631
EPA CompTox DB:DTXCID407579

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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