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🧪 4-Chlorobenzoate

Appears in: 3 pathways
Produces: 1 compound
Produced by: 3 transformations

Chemical Structure

4-Chlorobenzoate

📋 Properties

SMILES:
O=C([O-])C1=CC=C(Cl)C=C1
InChI:
InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/p-1
Database ID:
543
External:
View on PubChem ↗

🔬 Reactant

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

🔬 Product

Reactant 4-Chlorobenzaldehyde → Product 4-Chlorobenzoate
4-chlorobenzaldehyde oxidase (Eawag BBD reaction r0447)       (EC 1.2.-.-)
In pathway: 1,1,1-Trichloro-2,2-bis-(4`-chlorophenyl)ethane (DDT)
Reactant 6-Oxo-2-hydroxy-7-(4`-chlorophenyl)-3,8,8,8-tetrachloroocta-2Z,4Z-dienoate → Product 4-Chlorobenzoate
Eawag BBD reaction r0453
In pathway: 1,1,1-Trichloro-2,2-bis-(4`-chlorophenyl)ethane (DDT)
Reactant 2-Hydroxy-6-oxo-6-(4`-chlorophenyl)-hexa-2,4-dienoate → Product 4-Chlorobenzoate
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase (Eawag BBD reaction r0136)       (EC 3.7.1.8)
In pathway: 4-Chlorobiphenyl

🗺️ All Pathways Containing This Compound

1,1,1-Trichloro-2,2-bis-(4`-chlorophenyl)ethane (DDT) 2,4-Dichlorobenzoate 4-Chlorobiphenyl
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