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🧪 Theobromine

Appears in: 2 pathways
Produces: 3 compounds
Produced by: 2 transformations

Chemical Structure

Theobromine

📋 Properties

SMILES:
O=C1NC(=O)N(C=2N=CN(C12)C)C
InChI:
InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
Database ID:
1244
External:
View on PubChem ↗

🔬 Reactant

Reactant Theobromine → Product 7-Methylxanthine
theobromine demethylase (Eawag BBD reaction r1248)       (EC 1.13.12.-)
In pathway: Caffeine
Reactant Theobromine → Product 3,7-Dimethyluric acid
xanthine oxidase (Eawag BBD reaction r1250)       (EC 1.17.3.2)
In pathway: Caffeine
Reactant Theobromine → Product 3-Methylxanthine
theobromine demethylase (Eawag BBD reaction r1319)       (EC 1.13.12.-)
In pathway: Caffeine (fungal)

🔬 Product

Reactant Caffeine → Product Theobromine
caffeine demethylase (Eawag BBD reaction r1247)       (EC 1.13.12.-)
In pathway: Caffeine
Reactant Caffeine → Product Theobromine
caffeine demethylase (Eawag BBD reaction r1247)       (EC 1.13.12.-)
In pathway: Caffeine (fungal)

🗺️ All Pathways Containing This Compound

Caffeine Caffeine (fungal)
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