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CHEBI:166454 - Methylacetoacetic acid

Default Structure
ChEBI IDCHEBI:166454
ChEBI NameMethylacetoacetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H8O3
Net Charge0
Average Mass116.116
Monoisotopic Mass116.04734
SMILESCOC(=O)CC(C)=O
InChIInChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
InChIKeyWRQNANDWMGAFTP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Methylacetoacetic acid (CHEBI:166454) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
methyl 3-oxobutanoate
Manual XrefsDatabases
13874867ChemSpider
C02233KEGG COMPOUND
HMDB0000310HMDB
LMFA01060005LIPID MAPS
Registry NumbersSources
CAS:105-45-3ChemIDplus