CHEBI:73689 - methyl isobutyrate

ChEBI IDCHEBI:73689
ChEBI Namemethyl isobutyrate
Stars
DefinitionThe fatty acid methyl ester of isobutyric acid.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC5H10O2
Net Charge0
Average Mass102.133
Monoisotopic Mass102.06808
SMILESCOC(=O)C(C)C
InChIInChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
InChIKeyBHIWKHZACMWKOJ-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)
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 XrefsDatabases
EP0101719Patent
WO8302940Patent
Registry NumbersSources
Reaxys:1740720Reaxys
CAS:547-63-7ChemIDplus
Citations