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🧪 4,5-Chrysenedicarboxylate

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

Chemical Structure

4,5-Chrysenedicarboxylate

📋 Properties

SMILES:
O=C([O-])C=1C=CC=C2C=CC=3C=4C=CC=CC4C=C(C(=O)[O-])C3C21
InChI:
InChI=1S/C20H12O4/c21-19(22)15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(23)24)18(14)17(11)15/h1-10H,(H,21,22)(H,23,24)/p-2
Database ID:
519
External:
View on PubChem ↗

🔬 Reactant

Reactant 4,5-Chrysenedicarboxylate → Product Chrysene-4-carboxylate
4,5-chrysene-dicarboxylic acid decarboxylase (Eawag BBD reaction r1130)       (EC 4.1.1.-)
In pathway: Benzo[a]pyrene
Reactant 4,5-Chrysenedicarboxylate → Product Chrysene-5-carboxylate
4,5-chrysene-dicarboxylic acid decarboxylase (Eawag BBD reaction r1140)       (EC 4.1.1.-)
In pathway: Benzo[a]pyrene

🔬 Product

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

🗺️ All Pathways Containing This Compound

Benzo[a]pyrene
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