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🧪 4-Chlorobenzoyl-CoA

Appears in: 1 pathway
Produces: 1 compound
Produced by: 2 transformations

Chemical Structure

4-Chlorobenzoyl-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(Cl)C=C4
InChI:
InChI=1S/C28H39ClN7O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-3-5-16(29)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)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)
Database ID:
544
External:
View on PubChem ↗

🔬 Reactant

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

🔬 Product

Reactant 2,4-Dichlorobenzoyl-CoA → Product 4-Chlorobenzoyl-CoA
2,4-dichlorobenzoyl-CoA reductase (Eawag BBD reaction r0138)       (EC 1.21.1.2)
In pathway: 2,4-Dichlorobenzoate
Reactant 4-Chlorobenzoate → Product 4-Chlorobenzoyl-CoA
4-chlorobenzoate-CoA ligase (Eawag BBD reaction r0139)       (EC 6.2.1.33)
In pathway: 2,4-Dichlorobenzoate

🗺️ All Pathways Containing This Compound

2,4-Dichlorobenzoate
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