Compound
acetoacetate
A 3-oxo monocarboxylic acid anion that is the conjugate base of acetoacetic acid, arising from deprotonation of the carboxy group.
Definition from ChEBI (CHEBI:13705), read 2026-09-23. CC BY 4.0.
Structure
Loading the model…
- Class
- Organic compound, anion
- Formula
- C4H5O3
- Mass
- 101.081 g/mol
- Charge
- -1
- InChIKey
- WDJHALXBUFZDSR-UHFFFAOYSA-M
- SMILES
- CC(=O)CC(=O)[O-]
- Look it up
- ChEBIPubChemBy InChIKey
Identity from ChEBI, geometry from PubChem. Not evidence.
What it touches on the way
Mechanistic reach
14 entities
14 entities reached.
0 reported hops14 assembled from the scaffold
- SLC16A1ProteinUNIPROT:P53985transported byInferred only275 paths25 endpoints
- SLC16A7ProteinUNIPROT:O60669transported byInferred only60 paths6 endpoints
- OXCT1ProteinUNIPROT:P55809substrate ofInferred only24 paths12 endpoints
- BDH1ProteinUNIPROT:Q02338substrate ofInferred only20 paths10 endpoints
- HMGCLProteinUNIPROT:P35914substrate ofInferred only16 paths16 endpoints
- AACSProteinUNIPROT:Q86V21substrate ofInferred only12 paths4 endpoints
- BDH2ProteinUNIPROT:Q9BUT1substrate ofInferred only8 paths4 endpoints
- SLC16A3ProteinUNIPROT:O15427transported byInferred only7 paths7 endpoints
- FAHProteinUNIPROT:P16930substrate ofInferred only7 paths7 endpoints
- SLC16A8ProteinUNIPROT:O95907transported byInferred only6 paths1 endpoint
- ADHFE1ProteinUNIPROT:Q8IWW8substrate ofInferred only5 paths5 endpoints
- HMGCLL1ProteinUNIPROT:Q8TB92substrate ofInferred only5 paths5 endpoints
What the reference databases state
Chemical structure
- acetoacetate has the functional parent butanoateCompoundChEBI CHEBI:13705Inferred only
Statements
83 statements
83 statements · 2 reference databases · Subject: acetoacetate · Sources: Human-GEM, Rhea
- acetoacetate is converted to (3S)-3-hydroxy-3-methylglutaryl-CoACompoundRhea RHEA:24404Inferred only
- (3S)-3-hydroxy-3-methylglutaryl-CoA is converted to acetoacetateCompoundRhea RHEA:24404Inferred only
- acetoacetate is converted to (R)-3-hydroxybutyric acidCompoundRhea RHEA:20521Inferred only
- acetoacetate is converted to (R)-3-hydroxybutyric acidCompoundHuman-GEM MAR04461Inferred only
- (R)-3-hydroxybutyric acid is converted to acetoacetateCompoundHuman-GEM MAR04461Inferred only
- (R)-3-hydroxybutyric acid is converted to acetoacetateCompoundRhea RHEA:20521Inferred only
- acetoacetate is converted to acetoacetyl-CoACompoundRhea RHEA:16117Inferred only
- acetoacetyl-CoA is converted to acetoacetateCompoundRhea RHEA:15673Inferred only
- acetoacetate is converted to acetoneCompoundRhea RHEA:19729Inferred only
- acetoacetate is converted to acetoneCompoundRhea RHEA:18385Inferred only
- acetone is converted to acetoacetateCompoundRhea RHEA:19729Inferred only
- acetoacetate is converted to acetoneCompoundHuman-GEM MAR04464Inferred only
Show the remaining 71
- acetone is converted to acetoacetateCompoundRhea RHEA:18385Inferred only
- CHEBI:15467 is converted to acetoacetateCompoundHuman-GEM MAR01577Inferred only
- CHEBI:15467 is converted to acetoacetateCompoundHuman-GEM MAR01449Inferred only
- acetoacetate is a substrate of AACSProteinRhea RHEA:16117Inferred only
- acetoacetate is a substrate of AACSProteinHuman-GEM MAR01576Inferred only
- acetoacetate is a substrate of AACSProteinHuman-GEM MAR01436Inferred only
- acetoacetate is a substrate of ADHFE1ProteinRhea RHEA:23048Inferred only
- acetoacetate is a substrate of BDH1ProteinRhea RHEA:20521Inferred only
- acetoacetate is a substrate of BDH1ProteinHuman-GEM MAR04461Inferred only
- acetoacetate is a substrate of BDH2ProteinHuman-GEM MAR04461Inferred only
- acetoacetate is a substrate of BDH2ProteinRhea RHEA:20521Inferred only
- acetoacetate is a substrate of FAHProteinRhea RHEA:10244Inferred only
- acetoacetate is a substrate of HMGCLProteinRhea RHEA:24404Inferred only
- acetoacetate is a substrate of HMGCLL1ProteinRhea RHEA:24404Inferred only
- acetoacetate is a substrate of OXCT1ProteinRhea RHEA:25480Inferred only
- acetoacetate is a substrate of OXCT1ProteinHuman-GEM MAR03787Inferred only
- acetoacetate is a substrate of OXCT2ProteinHuman-GEM MAR03787Inferred only
- acetoacetate is transported by SLC16A1ProteinRhea RHEA:71775Inferred only
- acetoacetate is transported by SLC16A1ProteinHuman-GEM MAR06047Inferred only
- acetoacetate is transported by SLC16A1ProteinHuman-GEM MAR06000Inferred only
- acetoacetate is transported by SLC16A1ProteinHuman-GEM MAR04977Inferred only
- acetoacetate is transported by SLC16A1ProteinHuman-GEM MAR06001Inferred only
- acetoacetate is transported by SLC16A1ProteinHuman-GEM MAR04976Inferred only
- acetoacetate is transported by SLC16A1ProteinHuman-GEM MAR06003Inferred only
- acetoacetate is transported by SLC16A1ProteinHuman-GEM MAR06046Inferred only
- acetoacetate is transported by SLC16A1ProteinHuman-GEM MAR06006Inferred only
- acetoacetate is transported by SLC16A1ProteinHuman-GEM MAR06004Inferred only
- acetoacetate is transported by SLC16A1ProteinHuman-GEM MAR06025Inferred only
- acetoacetate is transported by SLC16A3ProteinHuman-GEM MAR06000Inferred only
- acetoacetate is transported by SLC16A4ProteinHuman-GEM MAR06004Inferred only
- acetoacetate is transported by SLC16A4ProteinHuman-GEM MAR06047Inferred only
- acetoacetate is transported by SLC16A4ProteinHuman-GEM MAR06046Inferred only
- acetoacetate is transported by SLC16A4ProteinHuman-GEM MAR06025Inferred only
- acetoacetate is transported by SLC16A4ProteinHuman-GEM MAR04976Inferred only
- acetoacetate is transported by SLC16A4ProteinHuman-GEM MAR06006Inferred only
- acetoacetate is transported by SLC16A4ProteinHuman-GEM MAR06000Inferred only
- acetoacetate is transported by SLC16A4ProteinHuman-GEM MAR06001Inferred only
- acetoacetate is transported by SLC16A4ProteinHuman-GEM MAR06002Inferred only
- acetoacetate is transported by SLC16A4ProteinHuman-GEM MAR06005Inferred only
- acetoacetate is transported by SLC16A4ProteinHuman-GEM MAR06003Inferred only
- acetoacetate is transported by SLC16A5ProteinHuman-GEM MAR06046Inferred only
- acetoacetate is transported by SLC16A5ProteinHuman-GEM MAR06047Inferred only
- acetoacetate is transported by SLC16A5ProteinHuman-GEM MAR06001Inferred only
- acetoacetate is transported by SLC16A5ProteinHuman-GEM MAR06004Inferred only
- acetoacetate is transported by SLC16A5ProteinHuman-GEM MAR06002Inferred only
- acetoacetate is transported by SLC16A5ProteinHuman-GEM MAR06005Inferred only
- acetoacetate is transported by SLC16A5ProteinHuman-GEM MAR04976Inferred only
- acetoacetate is transported by SLC16A5ProteinHuman-GEM MAR06003Inferred only
- acetoacetate is transported by SLC16A5ProteinHuman-GEM MAR06000Inferred only
- acetoacetate is transported by SLC16A5ProteinHuman-GEM MAR06006Inferred only
- acetoacetate is transported by SLC16A5ProteinHuman-GEM MAR06025Inferred only
- acetoacetate is transported by SLC16A6ProteinHuman-GEM MAR04976Inferred only
- acetoacetate is transported by SLC16A6ProteinHuman-GEM MAR06001Inferred only
- acetoacetate is transported by SLC16A7ProteinHuman-GEM MAR06047Inferred only
- acetoacetate is transported by SLC16A7ProteinHuman-GEM MAR06006Inferred only
- acetoacetate is transported by SLC16A7ProteinHuman-GEM MAR06001Inferred only
- acetoacetate is transported by SLC16A7ProteinHuman-GEM MAR06000Inferred only
- acetoacetate is transported by SLC16A7ProteinHuman-GEM MAR04976Inferred only
- acetoacetate is transported by SLC16A7ProteinHuman-GEM MAR06025Inferred only
- acetoacetate is transported by SLC16A7ProteinHuman-GEM MAR06046Inferred only
- acetoacetate is transported by SLC16A7ProteinRhea RHEA:71775Inferred only
- acetoacetate is transported by SLC16A7ProteinHuman-GEM MAR06004Inferred only
- acetoacetate is transported by SLC16A7ProteinHuman-GEM MAR06003Inferred only
- acetoacetate is transported by SLC16A8ProteinHuman-GEM MAR06025Inferred only
- acetoacetate is transported by SLC16A8ProteinHuman-GEM MAR06047Inferred only
- acetoacetate is transported by SLC16A8ProteinHuman-GEM MAR06003Inferred only
- acetoacetate is transported by SLC16A8ProteinHuman-GEM MAR06046Inferred only
- acetoacetate is transported by SLC16A8ProteinHuman-GEM MAR06004Inferred only
- acetoacetate is transported by SLC16A8ProteinHuman-GEM MAR04976Inferred only
- acetoacetate is transported by SLC5A12ProteinRhea RHEA:75811Inferred only
- acetoacetate is transported by SLC5A8ProteinRhea RHEA:72963Inferred only
Reactions
48 reactions
Reaction pageReversibleBalancedEC 2.3.1.16cytosol, peroxisome
Human-GEM MAR00056CC BY 4.0Reference data
acetoacetate+ATP+CHEBI:1146900CHEBI:15345+AMP+diphosphate(3-)
Catalysed by AACS
Reaction pageLeft to rightBalancedEC 6.2.1.16cytosol
Human-GEM MAR01436CC BY 4.0Reference data
CHEBI:15467acetoacetate+CHEBI:15351
Catalysed by HMGCL
Reaction pageLeft to rightBalancedEC 4.1.3.4peroxisome
Human-GEM MAR01449CC BY 4.0Reference data
acetoacetate+ATP+CHEBI:1146900CHEBI:15345+AMP+diphosphate(3-)
Catalysed by AACS
Reaction pageLeft to rightBalancedEC 6.2.1.16mitochondrial matrix
Human-GEM MAR01576CC BY 4.0Reference data
CHEBI:15467acetoacetate+CHEBI:15351
Reaction pageLeft to rightBalancedEC 4.1.3.4mitochondrial matrix
Human-GEM MAR01577CC BY 4.0Reference data
acetoacetate+CHEBI:15380CHEBI:15345+succinate(2-)
Reaction pageLeft to rightBalancedEC 2.8.3.5mitochondrial matrix
Human-GEM MAR03787CC BY 4.0Reference data
(R)-3-hydroxybutyric acid+NAD(+)acetoacetate+proton+NADH(2-)
Reaction pageReversibleBalancedEC 1.1.1.30mitochondrial matrix
Human-GEM MAR04461CC BY 4.0Reference data
acetoacetate+protonacetone+carbon dioxide
Reaction pageLeft to rightBalancedEC 4.1.1.4mitochondrial matrix
Human-GEM MAR04464CC BY 4.0Reference data
acetoacetate+protonacetoacetate+proton
Transported by SLC16A8 or SLC16A6 or SLC16A7 or SLC16A1 or SLC16A4 or SLC16A5
Reaction pageLeft to rightBalancedextracellular space, cytosol
Human-GEM MAR04976CC BY 4.0Reference data
acetoacetate+protonacetoacetate+proton
Transported by SLC16A1
Reaction pageLeft to rightBalancedcytosol, mitochondrial matrix
Human-GEM MAR04977CC BY 4.0Reference data
acetoacetate+pyruvateacetoacetate+pyruvate
Reaction pageReversibleBalancedcytosol, mitochondrial matrix
Human-GEM MAR05426CC BY 4.0Reference data
acetoacetate+pyruvateacetoacetate+pyruvate
Transported by SLC16A7 or SLC16A3 or SLC16A1 or SLC16A4 or SLC16A5
Reaction pageReversibleBalancedcytosol, extracellular space
Human-GEM MAR06000CC BY 4.0Reference data
Where it reaches
9 systems, 17 regions, 34 tissues, 35 transporter routes — routes, not measurements: transporters known to carry acetoacetate are expressed there, and no source reports it arriving.
Loading the model…
Other names
3 names
Resolves to: acetoacetate
- Also called
- Acetoacetate ion(1-)Butanoic acid, 3-oxo-, ion(1-)
- Systematic name
- 3-oxobutanoate