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🧪 Caffeine

Appears in: 2 pathways
Produces: 6 compounds

Chemical Structure

Caffeine

📋 Properties

SMILES:
O=C1C2=C(N=CN2C)N(C(=O)N1C)C
InChI:
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
Database ID:
794
External:
View on PubChem ↗
🌟 Starting Compound: This compound serves as the root (starting point) for 2 degradation pathways.

🔬 Reactant

Reactant Caffeine → Product Paraxanthine
caffeine demethylase (Eawag BBD reaction r1251)       (EC 1.13.12.-)
In pathway: Caffeine
Reactant Caffeine → Product Theobromine
caffeine demethylase (Eawag BBD reaction r1247)       (EC 1.13.12.-)
In pathway: Caffeine
Reactant Caffeine → Product 1,3,7-Trimethyluric acid
caffeine oxidase (Eawag BBD reaction r1321)       (EC 1.17.5.-)
In pathway: Caffeine
Reactant Caffeine → Product Paraxanthine
caffeine demethylase (Eawag BBD reaction r1251)       (EC 1.13.12.-)
In pathway: Caffeine (fungal)
Reactant Caffeine → Product Theobromine
caffeine demethylase (Eawag BBD reaction r1247)       (EC 1.13.12.-)
In pathway: Caffeine (fungal)
Reactant Caffeine → Product Theophylline
caffeine demethylase (Eawag BBD reaction r1324)       (EC 1.13.12.-)
In pathway: Caffeine (fungal)

🗺️ All Pathways Containing This Compound

Caffeine Caffeine (fungal)
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