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🧪 4,5-Dihydroxybenzo(a)pyrene

Appears in: 1 pathway
Produces: 1 compound
Produced by: 1 transformation

Chemical Structure

4,5-Dihydroxybenzo(a)pyrene

📋 Properties

SMILES:
OC1=C(O)C2=CC=3C=CC=CC3C=4C=CC5=CC=CC1=C5C42
InChI:
InChI=1S/C20H12O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,21-22H
Database ID:
520
External:
View on PubChem ↗

🔬 Reactant

Reactant 4,5-Dihydroxybenzo(a)pyrene → Product 4,5-Chrysenedicarboxylate
4,5-dihydroxybenzo(a)pyrene dioxygenase (Eawag BBD reaction r1128)       (EC 1.13.11.-)
In pathway: Benzo[a]pyrene

🔬 Product

Reactant Benzo(a)pyrene-cis-4,5-dihydrodiol → Product 4,5-Dihydroxybenzo(a)pyrene
benzo(a)pyrene-cis-4,5-dihydrodiol dehydrogenase (Eawag BBD reaction r1127)       (EC 1.3.-.-)
In pathway: Benzo[a]pyrene

🗺️ All Pathways Containing This Compound

Benzo[a]pyrene
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