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CHEBI:87280 - 2-methylbutyl 2-acetyloxyacetate

ChEBI IDCHEBI:87280
ChEBI Name2-methylbutyl 2-acetyloxyacetate
Stars
DefinitionAn acetate ester obtained by the formal condensation of the carboxy group of (acetyloxy)acetic acid with 2-methylbutanol.
Last Modified6 September 2021
Submitternamrata
DownloadsMolfile
FormulaC9H16O4
Net Charge0
Average Mass188.223
Monoisotopic Mass188.10486
SMILESCCC(C)COC(=O)COC(C)=O
InChIInChI=1S/C9H16O4/c1-4-7(2)5-13-9(11)6-12-8(3)10/h7H,4-6H2,1-3H3
InChIKeyOBQRYHNHTBHZOI-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)
2-methylbutyl 2-acetyloxyacetate (CHEBI:87280) has role metabolite (CHEBI:25212)
2-methylbutyl 2-acetyloxyacetate (CHEBI:87280) is a acetate ester (CHEBI:47622)
IUPAC Name 
2-methylbutyl (acetyloxy)acetate