CHEBI:73689 - methyl isobutyrate

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ChEBI Name methyl isobutyrate
ChEBI ID CHEBI:73689
Definition The fatty acid methyl ester of isobutyric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C5H10O2
Net Charge 0
Average Mass 102.13170
Monoisotopic Mass 102.06808
InChI InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
InChIKey BHIWKHZACMWKOJ-UHFFFAOYSA-N
SMILES COC(=O)C(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 methyl isobutyrate (CHEBI:73689) has functional parent isobutyric acid (CHEBI:16135)
methyl isobutyrate (CHEBI:73689) has role metabolite (CHEBI:25212)
methyl isobutyrate (CHEBI:73689) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name
methyl 2-methylpropanoate
Manual Xrefs Databases
EP0101719 Patent
WO8302940 Patent
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Registry Numbers Types Sources
1740720 Reaxys Registry Number Reaxys
547-63-7 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
19746921 PubMed citation Europe PMC
Last Modified
23 October 2015