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2-methylacetoacetate (CHEBI:19680)

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ChEBI Name 2-methylacetoacetate
ChEBI ID CHEBI:19680
Last Modified 17 November 2006
Stars This entity has been manually annotated by the ChEBI Team.

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InChI
InChI=1/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8)/p-1/fC5H7O3/q-1
InChIKey
InChIKey=GCXJINGJZAOJHR-SLYSZZATCF
SMILES
CC(C(C)=O)C([O-])=O
Charge -1
Mass 115.10728
ChEBI Ontology
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Outgoing 2-methylacetoacetate (CHEBI:19680) is conjugate base of 2-methylacetoacetic acid (CHEBI:37079)
2-methylacetoacetate (CHEBI:19680) is a 3-oxo monocarboxylic acid anion (CHEBI:35973)
2-methylacetoacetate (CHEBI:19680) has functional parent butyrate (CHEBI:17968)
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

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