CHEBI:87278 - ethyl 2-phenylethyl dimethylmalonate

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ChEBI Name ethyl 2-phenylethyl dimethylmalonate
ChEBI ID CHEBI:87278
Definition A dieter obtained by the formal condensation of the two carboxy groups of dimethylmalonic acid with ethanol and 2-phenylethanol respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H20O4
Net Charge 0
Average Mass 264.31690
Monoisotopic Mass 264.13616
InChI InChI=1S/C15H20O4/c1-4-18-13(16)15(2,3)14(17)19-11-10-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3
InChIKey FEOPIDQCBSIXGZ-UHFFFAOYSA-N
SMILES CCOC(=O)C(C)(C)C(=O)OCCc1ccccc1
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 2-phenylethyl dimethylmalonate (CHEBI:87278) has functional parent 2-phenylethanol (CHEBI:49000)
ethyl 2-phenylethyl dimethylmalonate (CHEBI:87278) has functional parent ethanol (CHEBI:16236)
ethyl 2-phenylethyl dimethylmalonate (CHEBI:87278) has role metabolite (CHEBI:25212)
ethyl 2-phenylethyl dimethylmalonate (CHEBI:87278) is a dicarboxylic acids and O-substituted derivatives (CHEBI:131927)
ethyl 2-phenylethyl dimethylmalonate (CHEBI:87278) is a diester (CHEBI:51307)
IUPAC Name
ethyl 2-phenylethyl dimethylpropanedioate
Last Modified
16 May 2016