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CHEBI:87368 - diethyl malate

ChEBI IDCHEBI:87368
ChEBI Namediethyl malate
Stars
DefinitionA malate ester obtained by the formal condensation of the two carboxy groups of malic acid with two molecules of ethanol respectively.
Last Modified1 September 2015
Submitternamrata
DownloadsMolfile
FormulaC8H14O5
Net Charge0
Average Mass190.195
Monoisotopic Mass190.08412
SMILESCCOC(=O)CC(O)C(=O)OCC
InChIInChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3
InChIKeyVKNUORWMCINMRB-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 malate (CHEBI:87368) has role metabolite (CHEBI:25212)
diethyl malate (CHEBI:87368) is a malate ester (CHEBI:36188)
IUPAC Name 
diethyl 2-hydroxybutanedioate