Compound
3-oxooctanoyl-CoA
An acyl-CoA(4−) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxooctanoyl-CoA; major species at pH 7.3.
Definition from ChEBI (CHEBI:62619), read 2026-09-23. CC BY 4.0.
Structure
No three-dimensional record for this entry.
- Class
- Organic compound, anion
- Formula
- C29H44N7O18P3S
- Mass
- 903.691 g/mol
- Charge
- -4
- InChIKey
- WPIVBCGRGVNDDT-CECATXLMSA-J
- SMILES
- CCCCCC(=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
7 entities
7 entities reached.
0 reported hops7 assembled from the scaffold
- HADHAProteinUNIPROT:P40939substrate ofInferred only74 paths37 endpoints
- HADHBProteinUNIPROT:P55084substrate ofInferred only66 paths32 endpoints
- ACAA1ProteinUNIPROT:P09110substrate ofInferred only48 paths24 endpoints
- HSD17B10ProteinUNIPROT:Q99714substrate ofInferred only33 paths33 endpoints
- SCP2ProteinUNIPROT:P22307substrate ofInferred only21 paths21 endpoints
- MYO5BProteinUNIPROT:Q9ULV0substrate ofInferred only11 paths11 endpoints
- ACAA2ProteinUNIPROT:P42765substrate ofInferred only10 paths10 endpoints
What the reference databases state
Statements
11 statements
11 statements · 2 reference databases · Subject: 3-oxooctanoyl-CoA · Sources: Human-GEM, Rhea
- 3-oxooctanoyl-CoA is converted to hexanoyl-CoACompoundRhea RHEA:31203Inferred only
- 3-oxooctanoyl-CoA is a substrate of ACAA1ProteinHuman-GEM MAR03097Inferred only
- 3-oxooctanoyl-CoA is a substrate of ACAA1ProteinRhea RHEA:31203Inferred only
- 3-oxooctanoyl-CoA is a substrate of ACAA2ProteinHuman-GEM MAR03153Inferred only
- 3-oxooctanoyl-CoA is a substrate of HADHAProteinRhea RHEA:31195Inferred only
- 3-oxooctanoyl-CoA is a substrate of HADHAProteinHuman-GEM MAR03153Inferred only
- 3-oxooctanoyl-CoA is a substrate of HADHBProteinHuman-GEM MAR03153Inferred only
- 3-oxooctanoyl-CoA is a substrate of HADHBProteinRhea RHEA:31203Inferred only
- 3-oxooctanoyl-CoA is a substrate of HSD17B10ProteinRhea RHEA:31195Inferred only
- 3-oxooctanoyl-CoA is a substrate of MYO5BProteinHuman-GEM MAR03097Inferred only
- 3-oxooctanoyl-CoA is a substrate of SCP2ProteinRhea RHEA:31203Inferred only
Reactions
8 reactions
MAM00183x+NAD(+)3-oxooctanoyl-CoA+proton+NADH(2-)
Catalysed by ACAA1 & HSD17B4 & EHHADH
Reaction pageLeft to rightBalancedEC 1.1.1.35, 1.1.1.211peroxisome
Human-GEM MAR03096CC BY 4.0Reference data
3-oxooctanoyl-CoA+CHEBI:1146900CHEBI:15351+CHEBI:27540
Reaction pageLeft to rightBalancedEC 2.3.1.16peroxisome
Human-GEM MAR03097CC BY 4.0Reference data
MAM00183m+NAD(+)3-oxooctanoyl-CoA+proton+NADH(2-)
Catalysed by HADHA & HADH & HSD17B10
Reaction pageLeft to rightBalancedEC 1.1.1.35, 1.1.1.211mitochondrial matrix
Human-GEM MAR03151CC BY 4.0Reference data
3-oxooctanoyl-CoA+CHEBI:1146900CHEBI:15351+CHEBI:27540
Catalysed by HADHA & ACAA2 & HADHB
Reaction pageLeft to rightBalancedEC 2.3.1.16, 1.1.1.211mitochondrial matrix
Human-GEM MAR03153CC BY 4.0Reference data
CHEBI:62617+NAD(1-)3-oxooctanoyl-CoA+NADH(2-)+hydron
Catalysed by HADHA or HSD17B10
Reaction pageReversibleBalanced
Rhea RHEA:31195CC BY 4.0Reference data
hexanoyl-CoA+acetyl-CoA3-oxooctanoyl-CoA+coenzyme A(4-)
Catalysed by ACAA1 or SCP2 or HADHB
Reaction pageRight to leftBalanced
Rhea RHEA:31203CC BY 4.0Reference data
CHEBI:74279+NAD(1-)3-oxooctanoyl-CoA+NADH(2-)+hydron
Catalysed by HSD17B4
Reaction pageLeft to rightBalanced
Rhea RHEA:40191CC BY 4.0Reference data
CHEBI:74279+NADP(3-)3-oxooctanoyl-CoA+NADPH(4-)+hydron
Reaction pageDirection not assertedBalanced
Rhea RHEA:45844CC BY 4.0Reference data
Other names
3 names
Resolves to: 3-oxooctanoyl-CoA
- Also called
- 3-ketooctanoyl-CoA(4-)3-ketooctanoyl-CoA(4−)
- Systematic name
- 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxooctanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}