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🧪 4-Hydroxybenzoyl-CoA

Appears in: 3 pathways
Produces: 2 compounds
Produced by: 3 transformations

Chemical Structure

4-Hydroxybenzoyl-CoA

📋 Properties

SMILES:
O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)C4=CC=C(O)C=C4
InChI:
InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1
Database ID:
566
External:
View on PubChem ↗

🔬 Reactant

Reactant 4-Hydroxybenzoyl-CoA → Product 4-Hydroxybenzoate
4-hydroxybenzoyl-CoA thioesterase (Eawag BBD reaction r0141)       (EC 3.1.2.23)
In pathway: 2,4-Dichlorobenzoate
Reactant 4-Hydroxybenzoyl-CoA → Product Benzoyl-CoA
4-hydroxybenzoyl-CoA reductase (Eawag BBD reaction r0158)       (EC 1.1.7.1)
In pathway: Phenol (anaerobic)

🔬 Product

Reactant 4-Chlorobenzoyl-CoA → Product 4-Hydroxybenzoyl-CoA
4-chlorobenzoyl-CoA dehalogenase (Eawag BBD reaction r0140)       (EC 3.8.1.7)
In pathway: 2,4-Dichlorobenzoate
Reactant 4-Fluorobenzoyl-CoA → Product 4-Hydroxybenzoyl-CoA
4-chlorobenzoyl-CoA dehalogenase (Eawag BBD reaction r1211)       (EC 3.8.1.7)
In pathway: 4-Fluorobenzoate (an/aerobic)
Reactant 4-Hydroxybenzoate → Product 4-Hydroxybenzoyl-CoA
4-hydroxybenzoate-CoA ligase (Eawag BBD reaction r0156)       (EC 6.2.1.27)
In pathway: Phenol (anaerobic)

🗺️ All Pathways Containing This Compound

2,4-Dichlorobenzoate 4-Fluorobenzoate (an/aerobic) Phenol (anaerobic)
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