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CHEBI:87276 - ethyl 3-methylbutyl butanedioate

ChEBI IDCHEBI:87276
ChEBI Nameethyl 3-methylbutyl butanedioate
Stars
DefinitionA dieter obtained by the forma condensation of the two carboxy groups of succinic acid with ethanol and 3-methylbutanol respectively.
Last Modified9 November 2017
Submitternamrata
DownloadsMolfile
FormulaC11H20O4
Net Charge0
Average Mass216.277
Monoisotopic Mass216.13616
SMILESCCOC(=O)CCC(=O)OCCC(C)C
InChIInChI=1S/C11H20O4/c1-4-14-10(12)5-6-11(13)15-8-7-9(2)3/h9H,4-8H2,1-3H3
InChIKeyGCXHTVAWZRIFAV-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)
ethyl 3-methylbutyl butanedioate (CHEBI:87276) has functional parent succinic acid (CHEBI:15741)
ethyl 3-methylbutyl butanedioate (CHEBI:87276) has role metabolite (CHEBI:25212)
ethyl 3-methylbutyl butanedioate (CHEBI:87276) is a dicarboxylic acids and O-substituted derivatives (CHEBI:131927)
ethyl 3-methylbutyl butanedioate (CHEBI:87276) is a diester (CHEBI:51307)
ethyl 3-methylbutyl butanedioate (CHEBI:87276) is a succinate ester (CHEBI:36181)
IUPAC Name 
ethyl 3-methylbutyl butanedioate
Synonym  Source
ethyl 3-methylbutyl succinateChEBI