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CHEBI:87319 - diethyl glutarate

ChEBI IDCHEBI:87319
ChEBI Namediethyl glutarate
Stars
DefinitionA diester obtained by the formal condensation of carboxy groups of glutaric acid with two molecules of ethanol respectively.
Last Modified2 September 2015
Submitternamrata
DownloadsMolfile
FormulaC9H16O4
Net Charge0
Average Mass188.223
Monoisotopic Mass188.10486
SMILESCCOC(=O)CCCC(=O)OCC
InChIInChI=1S/C9H16O4/c1-3-12-8(10)6-5-7-9(11)13-4-2/h3-7H2,1-2H3
InChIKeyOUWSNHWQZPEFEX-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
diethyl glutarate (CHEBI:87319) has functional parent glutaric acid (CHEBI:17859)
diethyl glutarate (CHEBI:87319) has role metabolite (CHEBI:25212)
diethyl glutarate (CHEBI:87319) is a diester (CHEBI:51307)
IUPAC Name 
diethyl pentanedioate
Synonyms  Source
diethyl 1,3-propanedicarboxylateChEBI
glutaric acid diethyl esterChEBI
Manual XrefsDatabases
HMDB0059879HMDB
Registry NumbersSources
Reaxys:1777327Reaxys
CAS:818-38-2ChemIDplus
CAS:818-38-2NIST Chemistry WebBook