Compound
acetoacetyl-CoA
A 3-oxoacyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of acetoacetyl-CoA.
Definition from ChEBI (CHEBI:57286), read 2026-09-23. CC BY 4.0.
Structure
No three-dimensional record for this entry.
- Class
- Organic compound, anion
- Formula
- C25H36N7O18P3S
- Mass
- 847.583 g/mol
- Charge
- -4
- InChIKey
- OJFDKHTZOUZBOS-CITAKDKDSA-J
- SMILES
- CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
- Look it up
- ChEBIBy InChIKey
Identity from ChEBI. Not evidence.
What it touches on the way
Mechanistic reach
10 entities
10 entities reached.
0 reported hops10 assembled from the scaffold
- ACAT1ProteinUNIPROT:P24752substrate ofInferred only39 paths39 endpoints
- HSD17B10ProteinUNIPROT:Q99714substrate ofInferred only33 paths33 endpoints
- HMGCS1ProteinUNIPROT:Q01581substrate ofInferred only26 paths26 endpoints
- ACAA1ProteinUNIPROT:P09110substrate ofInferred only24 paths24 endpoints
- HADHProteinUNIPROT:Q16836substrate ofInferred only22 paths22 endpoints
- ACAT2ProteinUNIPROT:Q9BWD1substrate ofInferred only19 paths19 endpoints
- ACOT8ProteinUNIPROT:O14734substrate ofInferred only16 paths16 endpoints
- HMGCS2ProteinUNIPROT:P54868substrate ofInferred only16 paths16 endpoints
- CRATProteinUNIPROT:P43155substrate ofInferred only11 paths11 endpoints
- ACAA2ProteinUNIPROT:P42765substrate ofInferred only10 paths10 endpoints
What the reference databases state
Statements
17 statements
17 statements · 1 reference database · Subject: acetoacetyl-CoA · Sources: Rhea
- acetoacetyl-CoA is converted to (3S)-3-hydroxy-3-methylglutaryl-CoACompoundRhea RHEA:10188Inferred only
- (3S)-3-hydroxybutanoyl-CoA is converted to acetoacetyl-CoACompoundRhea RHEA:30799Inferred only
- acetoacetyl-CoA is converted to (3S)-3-hydroxybutanoyl-CoACompoundRhea RHEA:30799Inferred only
- (3S)-3-hydroxybutanoyl-CoA is converted to acetoacetyl-CoACompoundRhea RHEA:16197Inferred only
- acetoacetyl-CoA is converted to (3S)-3-hydroxybutanoyl-CoACompoundRhea RHEA:16197Inferred only
- acetoacetyl-CoA is converted to acetoacetateCompoundRhea RHEA:15673Inferred only
- acetoacetate is converted to acetoacetyl-CoACompoundRhea RHEA:16117Inferred only
- acetoacetyl-CoA is a substrate of ACAA1ProteinRhea RHEA:21036Inferred only
- acetoacetyl-CoA is a substrate of ACAA2ProteinRhea RHEA:21036Inferred only
- acetoacetyl-CoA is a substrate of ACAT1ProteinRhea RHEA:21036Inferred only
- acetoacetyl-CoA is a substrate of ACAT2ProteinRhea RHEA:21036Inferred only
- acetoacetyl-CoA is a substrate of ACOT8ProteinRhea RHEA:15673Inferred only
Show the remaining 5
- acetoacetyl-CoA is a substrate of CRATProteinRhea RHEA:44996Inferred only
- acetoacetyl-CoA is a substrate of HADHProteinRhea RHEA:30799Inferred only
- acetoacetyl-CoA is a substrate of HMGCS1ProteinRhea RHEA:10188Inferred only
- acetoacetyl-CoA is a substrate of HMGCS2ProteinRhea RHEA:10188Inferred only
- acetoacetyl-CoA is a substrate of HSD17B10ProteinRhea RHEA:30799Inferred only
Reactions
17 reactions
acetoacetyl-CoA+acetyl-CoA+water(3S)-3-hydroxy-3-methylglutaryl-CoA+coenzyme A(4-)+hydron
Reaction pageLeft to rightBalanced
Rhea RHEA:10188CC BY 4.0Reference data
acetoacetate+butanoyl-CoAacetoacetyl-CoA+butanoate
Reaction pageDirection not assertedBalanced
Rhea RHEA:12961CC BY 4.0Reference data
acetoacetyl-CoA+wateracetoacetate+coenzyme A(4-)+hydron
Catalysed by ACOT8
Reaction pageLeft to rightBalanced
Rhea RHEA:15673CC BY 4.0Reference data
acetoacetate+ATP(4-)+coenzyme A(4-)acetoacetyl-CoA+AMP+diphosphate(3-)
Catalysed by AACS
Reaction pageLeft to rightBalanced
Rhea RHEA:16117CC BY 4.0Reference data
(3S)-3-hydroxybutanoyl-CoA+NADP(3-)acetoacetyl-CoA+NADPH(4-)+hydron
Reaction pageDirection not assertedBalanced
Rhea RHEA:16197CC BY 4.0Reference data
2acetyl-CoAacetoacetyl-CoA+coenzyme A(4-)
Catalysed by ACAA1 or ACAT1 or ACAA2 or ACAT2
Reaction pageReversibleBalanced
Rhea RHEA:21036CC BY 4.0Reference data
acetoacetate+succinyl-CoAacetoacetyl-CoA+succinate(2-)
Catalysed by OXCT1
Reaction pageLeft to rightBalanced
Rhea RHEA:25480CC BY 4.0Reference data
acetoacetate+acetyl-CoAacetoacetyl-CoA+acetate
Reaction pageDirection not assertedBalanced
Rhea RHEA:27806CC BY 4.0Reference data
malonyl-CoA+acetyl-CoA+hydronacetoacetyl-CoA+carbon dioxide+coenzyme A(4-)
Reaction pageDirection not assertedBalanced
Rhea RHEA:28250CC BY 4.0Reference data
(3S)-3-hydroxybutanoyl-CoA+NAD(1-)acetoacetyl-CoA+NADH(2-)+hydron
Reaction pageReversibleBalanced
Rhea RHEA:30799CC BY 4.0Reference data
CHEBI:78611+NAD(1-)acetoacetyl-CoA+NADH(2-)+hydron
Reaction pageDirection not assertedBalanced
Rhea RHEA:42048CC BY 4.0Reference data
acetoacetyl-CoA+(R)-carnitineO-3-oxobutanoyl-(R)-carnitine+coenzyme A(4-)
Catalysed by CRAT
Reaction pageLeft to rightBalanced
Rhea RHEA:44996CC BY 4.0Reference data
Other names
4 names
Resolves to: acetoacetyl-CoA
- Also called
- acetoacetyl-CoA tetraanionacetoacetyl-coenzyme A(4-)acetoacetyl-coenzyme A(4−)
- Systematic name
- 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxobutanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}