acetoacetate

A 3-oxo monocarboxylic acid anion that is the conjugate base of acetoacetic acid, arising from deprotonation of the carboxy group.

Synonyms: acetoacetate 3-oxobutanoate Acetoacetate

This is just here as a test because I lose it

database cross reference

Subsets

3_STAR

charge

-1

database cross reference

UM-BBD_compID:c0069

MetaCyc:3-KETOBUTYRATE

Beilstein:4128534

Reaxys:4128534

CAS:141-81-1

KEGG:C00164

formula

C4H5O3

has related synonym

Butanoic acid, 3-oxo-, ion(1-)

Acetoacetate ion(1-)

has obo namespace

chebi_ontology

CHEBI:13705

imported from

http://purl.obolibrary.org/obo/chebi.owl

inchi

InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)/p-1

inchikey

WDJHALXBUFZDSR-UHFFFAOYSA-M

mass

101.08070

monoisotopicmass

101.02442

smiles

CC(=O)CC([O-])=O

Subclass of: