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🧪 3,5-Dichloro-3-methyl-cis,cis-muconate

Appears in: 1 pathway
Produces: 2 compounds
Produced by: 1 transformation

Chemical Structure

3,5-Dichloro-3-methyl-cis,cis-muconate

📋 Properties

SMILES:
O=C([O-])C(Cl)=CC(Cl)=C(C(=O)[O-])C
InChI:
InChI=1S/C7H6Cl2O4/c1-3(6(10)11)4(8)2-5(9)7(12)13/h2H,1H3,(H,10,11)(H,12,13)/p-2/b4-3+,5-2+
Database ID:
413
External:
View on PubChem ↗

🔬 Reactant

Reactant 3,5-Dichloro-3-methyl-cis,cis-muconate → Product 2-Chloro-5-methyl-cis-dienelactone
chloromuconate cycloisomerase (Eawag BBD reaction r0960)       (EC 5.5.1.7)
In pathway: 2,4-Dichlorotoluene
Reactant 3,5-Dichloro-3-methyl-cis,cis-muconate → Product 3,5-Dichloro-2-methylmuconolactone
chloromuconate cycloisomerase (Eawag BBD reaction r0963)       (EC 5.5.1.7)
In pathway: 2,4-Dichlorotoluene

🔬 Product

Reactant 4,6-Dichloro-3-methylcatechol → Product 3,5-Dichloro-3-methyl-cis,cis-muconate
4,6-dichloro-3-methylcatechol 1,2-dioxygenase (Eawag BBD reaction r0959)       (EC 1.13.11.-)
In pathway: 2,4-Dichlorotoluene

🗺️ All Pathways Containing This Compound

2,4-Dichlorotoluene
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