(4-Hydroxybenzoyl)-CoA
(4-Hydroxybenzoyl)-CoA (Coenzyme A,S-(4-hydroxybenzoate)) is the S-(4-hydroxybenzoyl) derivative of coenzyme A. 4-Hydroxybenzoyl-CoA binds to the thioesterase active site and is hydrolyzed to CoA and 4-HBA. 4-Hydroxybenzoyl-CoA is the natural substrate of 4-Hydroxybenzoyl-CoA thioesterase and is also the dehalogenase product bound at its active site in the crystal structure.
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- CAS No.: 27718-41-8
- Formula: C28H40N7O18P3S
- Molecular Weight:887.64
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Biological Activity
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Chemical Information
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Description
In Vitro
(4-Hydroxybenzoyl)-CoA binds D17N mutant Pseudomonas sp. CBS3 4-HBA-CoA thioesterase with a K_d of 0.15 µM, and the para-hydroxyl contributes 4.8 kcal/mol to ground-state binding and 4.3 kcal/mol to transition-state stabilization[4].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 27718-41-8
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Molecular Weight 887.64
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Formula C28H40N7O18P3S
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SMILES
O=C(CCNC([C@H](O)C(C)(COP(O)(OP(O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(O)(O)=O)=O)=O)C)=O)NCCSC(C4=CC=C(O)C=C4)=O
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Synonyms
Coenzyme A,S-(4-hydroxybenzoate); 4-Hydroxybenzoyl-CoA; 4-Hydroxybenzoyl-coenzyme A
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
(4-Hydroxybenzoyl)-CoA Related Classifications
HY-CE00345 Related Classifications
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Keywords
- (4-Hydroxybenzoyl)-CoA
- 27718-41-8
- Coenzyme A,S-4-hydroxybenzoate
- 4-Hydroxybenzoyl-CoA
- 4-Hydroxybenzoyl-coenzyme A
- Drug Derivative
- 4-HBA-CoA thioesterase
- 4-Hydroxybenzoyl-CoA
- 4-chlorobenzoate degradation
- 4-chlorobenzoyl-CoA dehalogenase
- 4-hydroxybenzoate degradation
- 4-hydroxybenzoate-CoA ligase
- 4-hydroxybenzoyl-CoA reductase
- Pseudomonas sp. strain CBS3
- Rhodopseudomonas palustris
- anaerobic aromatic acid metabolism
- Inhibitor
- inhibitor
- inhibit