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CHEBI:19680 - 2-methylacetoacetate

ChEBI IDCHEBI:19680
ChEBI Name2-methylacetoacetate
Stars
Last Modified17 November 2006
DownloadsMolfile
FormulaC5H7O3
Net Charge-1
Average Mass115.108
Monoisotopic Mass115.04007
SMILESCC(=O)C(C)C(=O)[O-]
InChIInChI=1S/C5H8O3/c1-3(4(2)6)5(7)8/h3H,1-2H3,(H,7,8)/p-1
InChIKeyGCXJINGJZAOJHR-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
2-methylacetoacetic acid (CHEBI:37079) is conjugate acid of 2-methylacetoacetate (CHEBI:19680)
IUPAC Name 
2-methyl-3-oxobutanoate
Synonym  Source
2-methyl-3-oxobutyrateChEBI
Registry NumbersSources
Beilstein:5246120Beilstein