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CHEBI:84086 - 6-(2-hydroxyethoxy)-6-oxohexanoic acid

ChEBI IDCHEBI:84086
ChEBI Name6-(2-hydroxyethoxy)-6-oxohexanoic acid
Stars
DefinitionA dicarboxylic acid monoester obtained by the formal condensation of one of the hydroxy groups of ethylene glycol with one of the carboxy groups of adipic acid.
Last Modified15 December 2014
Submitternamrata
DownloadsMolfile
FormulaC8H14O5
Net Charge0
Average Mass190.195
Monoisotopic Mass190.08412
SMILESO=C(O)CCCCC(=O)OCCO
InChIInChI=1S/C8H14O5/c9-5-6-13-8(12)4-2-1-3-7(10)11/h9H,1-6H2,(H,10,11)
InChIKeyYXCHMHANQUUDOV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
6-(2-hydroxyethoxy)-6-oxohexanoic acid (CHEBI:84086) has functional parent adipic acid (CHEBI:30832)
6-(2-hydroxyethoxy)-6-oxohexanoic acid (CHEBI:84086) has functional parent ethylene glycol (CHEBI:30742)
6-(2-hydroxyethoxy)-6-oxohexanoic acid (CHEBI:84086) has role human urinary metabolite (CHEBI:84087)
6-(2-hydroxyethoxy)-6-oxohexanoic acid (CHEBI:84086) is a dicarboxylic acid monoester (CHEBI:36244)
6-(2-hydroxyethoxy)-6-oxohexanoic acid (CHEBI:84086) is a hydroxy monocarboxylic acid (CHEBI:35868)
IUPAC Name 
6-(2-hydroxyethoxy)-6-oxohexanoic acid
Synonyms  Source
(2-hydroxyethyl) hydrogen adipateChemIDplus
adipinic acid ethylene glycol monoesterChEBI
Registry NumbersSources
Reaxys:1866477Reaxys
CAS:94109-19-0ChemIDplus
Citations