RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0118172
RefMet name	Ethylene glycol
Systematic name	ethane-1,2-diol
Synonyms	PubChem Synonyms
Exact mass	62.036780 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C2H6O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	52011 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChIKey	LYCAIKOWRPUZTN-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CO)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic oxygen compounds
Main Class	Alcohols and polyols
Sub Class	1,2-diols
Distribution of Ethylene glycol in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Ethylene glycol
External Links
Pubchem CID	174
ChEBI ID	30742
KEGG ID	C01380
HMDB ID	HMDB0037790
MetaCyc ID	GLYCOL
EPA CompTox	DTXCID40597
Spectral data for Ethylene glycol standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Ethylene glycol

Rxn ID	KEGG Reaction	Enzyme
R05842	Ethylene oxide + H2O <=> Ethylene glycol	ethylene oxide hydrolase

Table of KEGG human pathways containing Ethylene glycol

Pathway ID	Human Pathway	# of reactions
hsa01100	Metabolic pathways	1