CHEBI:166454 - Methylacetoacetic acid

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ChEBI Name Methylacetoacetic acid
ChEBI ID CHEBI:166454
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C5H8O3
Net Charge 0
Average Mass 116.116
Monoisotopic Mass 116.04734
InChI InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
InChIKey WRQNANDWMGAFTP-UHFFFAOYSA-N
SMILES O(C(=O)CC(=O)C)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Methylacetoacetic acid (CHEBI:166454) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name
methyl 3-oxobutanoate
Manual Xrefs Databases
13874867 ChemSpider
C02233 KEGG COMPOUND
HMDB0000310 HMDB
LMFA01060005 LIPID MAPS
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Registry Number Type Source
105-45-3 CAS Registry Number ChemIDplus