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🧪 cis-4-(7-Hydroxypyren-8-yl)-2-oxobut-3-enoate

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

Chemical Structure

cis-4-(7-Hydroxypyren-8-yl)-2-oxobut-3-enoate

📋 Properties

SMILES:
O=C([O-])C(=O)C=CC1=C(O)C=C2C=CC3=CC=CC=4C=CC1=C2C34
InChI:
InChI=1S/C20H12O4/c21-16(20(23)24)9-8-14-15-7-6-12-3-1-2-11-4-5-13(10-17(14)22)19(15)18(11)12/h1-10,22H,(H,23,24)/p-1/b9-8-
Database ID:
1332
External:
View on PubChem ↗

🔬 Reactant

Reactant cis-4-(7-Hydroxypyren-8-yl)-2-oxobut-3-enoate → Product Pyruvate
Eawag BBD reaction r1139
In pathway: Benzo[a]pyrene
Reactant cis-4-(7-Hydroxypyren-8-yl)-2-oxobut-3-enoate → Product 7,8-Dihydropyrene-8-carboxylate
Eawag BBD reaction r1139
In pathway: Benzo[a]pyrene

🔬 Product

Reactant Benzo(a)pyrene-cis-7,8-dihydrodiol → Product cis-4-(7-Hydroxypyren-8-yl)-2-oxobut-3-enoate
7,8-dihydroxy benzo(a)pyrene dioxygenase (Eawag BBD reaction r1138)       (EC 1.3.-.-)
In pathway: Benzo[a]pyrene

🗺️ All Pathways Containing This Compound

Benzo[a]pyrene
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