CHEBI:15344 - acetoacetic acid

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ChEBI Name acetoacetic acid
ChEBI ID CHEBI:15344
Definition A 3-oxo monocarboxylic acid that is butyric acid bearing a 3-oxo substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40507, CHEBI:2391, CHEBI:22172
Supplier Information ChemicalBook:CB3674958, eMolecules:522932, ZINC000000133392
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Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via ketone body )
Application(s): neuroprotective agent
Any compound that can be used for the treatment of neurodegenerative disorders.
(via ketone body )
Related Structures
acetoacetic acid is a Functional Parent of
2-methylacetoacetic acid
Mass : 116.11522
Formula : C5H8O3
37079
(R)-acetoacetylcarnitine
Mass : 245.27230
Formula : C11H19NO5
84841
acetoacetamide
Mass : 101.10392
Formula : C4H7NO2
28515
geranyl acetoacetate
Mass : 238.32270
Formula : C14H22O3
85255
ethyl acetoacetate
Mass : 130.143
Formula : C6H10O3
4893
acetoacetyl-CoA
Mass : 851.610
Formula : C25H40N7O18P3S
15345
acetoacetic acid has Substituent Group(s)
acetoacetyl group
Mass : 85.08130
Formula : C4H5O2
48051
acetoacetic acid is a Structural Derivative of
butyric acid
Mass : 88.10510
Formula : C4H8O2
30772
fatty acid
Mass : 45.01740
Formula : CHO2R
35366
acetoacetic acid is a Conjugate Acid of
acetoacetate
Mass : 101.08070
Formula : C4H5O3
13705
acetoacetic acid is a Tautomer of
3-hydroxy-3-butenoic acid
Mass : 102.089
Formula : C4H6O3
131367
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acetoacetic acid
lipid
carbonyl group
molecular entity
chemical entity
hydroxides
oxoacid
molecule
monocarboxylic acid
oxo carboxylic acid
oxygen molecular entity
heteroorganic entity
chalcogen molecular entity
carboxylic acid
main group molecular entity
carbon group molecular entity
hydrogen molecular entity
s-block molecular entity
p-block molecular entity
fatty acid
carbon oxoacid
oxo monocarboxylic acid
polyatomic entity
carbonyl compound
organic oxo compound
organochalcogen compound
organooxygen compound
heteroatomic molecular entity
3-oxo monocarboxylic acid
organic molecular entity
oxo fatty acid
fatty acid derivative
organic acid
organic molecule
ketone body
3-oxo fatty acid
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