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🧪 trans-4-[2-(3-Hydroxy)-thionaphthenyl]-2-oxo-3-butenoate

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

Chemical Structure

trans-4-[2-(3-Hydroxy)-thionaphthenyl]-2-oxo-3-butenoate

📋 Properties

SMILES:
O=C([O-])C(=O)C=CC=1SC=2C=CC=CC2C1O
InChI:
InChI=1S/C12H8O4S/c13-8(12(15)16)5-6-10-11(14)7-3-1-2-4-9(7)17-10/h1-6,14H,(H,15,16)/p-1/b6-5+
Database ID:
1394
External:
View on PubChem ↗

🔬 Reactant

Reactant trans-4-[2-(3-Hydroxy)-thionaphthenyl]-2-oxo-3-butenoate → Product 3-Hydroxy-2-formylbenzothiophene
trans-o-hydroxybenzylidenepyruvate hydratase-aldolase (Eawag BBD reaction r0164)       (EC 4.1.2.25)
In pathway: Dibenzothiophene Degradation
Reactant trans-4-[2-(3-Hydroxy)-thionaphthenyl]-2-oxo-3-butenoate → Product Pyruvate
trans-o-hydroxybenzylidenepyruvate hydratase-aldolase (Eawag BBD reaction r0164)       (EC 4.1.2.25)
In pathway: Dibenzothiophene Degradation

🔬 Product

Reactant cis-4-[2-(3-Hydroxy)-thionaphthenyl]-2-oxo-3-butenoate → Product trans-4-[2-(3-Hydroxy)-thionaphthenyl]-2-oxo-3-butenoate
2-hydroxychromene-2-carboxylate isomerase (Eawag BBD reaction r0163)       (EC 5.99.1.4)
In pathway: Dibenzothiophene Degradation

🗺️ All Pathways Containing This Compound

Dibenzothiophene Degradation
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