CHEBI:87276 - ethyl 3-methylbutyl butanedioate

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ChEBI Name ethyl 3-methylbutyl butanedioate
ChEBI ID CHEBI:87276
Definition A dieter obtained by the forma condensation of the two carboxy groups of succinic acid with ethanol and 3-methylbutanol respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H20O4
Net Charge 0
Average Mass 216.27410
Monoisotopic Mass 216.13616
InChI InChI=1S/C11H20O4/c1-4-14-10(12)5-6-11(13)15-8-7-9(2)3/h9H,4-8H2,1-3H3
InChIKey GCXHTVAWZRIFAV-UHFFFAOYSA-N
SMILES CCOC(=O)CCC(=O)OCCC(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 succinate ChEBI
Last Modified
09 November 2017