Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	52011
Common Name:	Ethylene glycol
Systematic Name:	ethane-1,2-diol
RefMet Name:	Ethylene glycol
Synonyms:	1,2-Dihydroxyethane; 2-Hydroxyethanol; Ethanediol; Monoethylene glycol; ethylene glycol [PubChem Synonyms]
Exact Mass:	62.0368 (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:	C2H6O2
InChIKey:	LYCAIKOWRPUZTN-UHFFFAOYSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Alcohols and polyols [C0000129]
ClassyFire direct parent:	1,2-diols [C0002467]
Massbank MS spectra:	View MS spectra
SMILES:	C(CO)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	174
CHEBI ID:	30742
HMDB ID:	HMDB0037790
KEGG ID:	C01380
MetaCyc ID:	GLYCOL
EPA CompTox DB:	DTXCID40597
Plant Metabolite Hub(Pmhub):	MS000017229

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