CHEBI:19680 - 2-methylacetoacetate

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ChEBI Name 2-methylacetoacetate
ChEBI ID CHEBI:19680
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C5H7O3
Net Charge -1
Average Mass 115.10728
Monoisotopic Mass 115.04007
InChI InChI=1S/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8)/p-1
InChIKey GCXJINGJZAOJHR-UHFFFAOYSA-M
SMILES CC(C(C)=O)C([O-])=O
ChEBI Ontology
Outgoing 2-methylacetoacetate (CHEBI:19680) has functional parent butyrate (CHEBI:17968)
2-methylacetoacetate (CHEBI:19680) is a 3-oxo monocarboxylic acid anion (CHEBI:35973)
2-methylacetoacetate (CHEBI:19680) is conjugate base of 2-methylacetoacetic acid (CHEBI:37079)
Incoming 2-methylacetoacetic acid (CHEBI:37079) is conjugate acid of 2-methylacetoacetate (CHEBI:19680)
IUPAC Name
2-methyl-3-oxobutanoate
Synonym Source
2-methyl-3-oxobutyrate ChEBI
Registry Number Type Source
5246120 Beilstein Registry Number Beilstein
Last Modified
17 November 2006