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

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ChEBI Name 6-(2-hydroxyethoxy)-6-oxohexanoic acid ChEBI ID CHEBI:84086 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H14O5 Net Charge 0 Average Mass 190.19380 Monoisotopic Mass 190.08412 InChI InChI=1S/C8H14O5/c9-5-6-13-8(12)4-2-1-3-7(10)11/h9H,1-6H2,(H,10,11) InChIKey YXCHMHANQUUDOV-UHFFFAOYSA-N SMILES OCCOC(=O)CCCCC(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources (2-hydroxyethyl) hydrogen adipate ChemIDplus adipinic acid ethylene glycol monoester ChEBI Registry Numbers Types Sources 1866477 Reaxys Registry Number Reaxys 94109-19-0 CAS Registry Number ChemIDplus Citation Type Source 22770225 PubMed citation Europe PMC Last Modified 15 December 2014