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🧪 Hexahydro-1,3,5-trinitro-1,3,5-triazine

Appears in: 2 pathways
Produces: 4 compounds

Chemical Structure

Hexahydro-1,3,5-trinitro-1,3,5-triazine

📋 Properties

SMILES:
O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])C1
InChI:
InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2
Database ID:
958
External:
View on PubChem ↗
🌟 Starting Compound: This compound serves as the root (starting point) for 2 degradation pathways.

🔬 Reactant

Reactant Hexahydro-1,3,5-trinitro-1,3,5-triazine → Product Hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine
Type I nitroreductase (Eawag BBD reaction r0834)       (EC 1.6.99.1)
In pathway: Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (anaerobic)
Reactant Hexahydro-1,3,5-trinitro-1,3,5-triazine → Product bis(Hydroxymethyl)nitramine
Eawag BBD reaction r0868
In pathway: Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (anaerobic)
Reactant Hexahydro-1,3,5-trinitro-1,3,5-triazine → Product Methylenedinitramine
Eawag BBD reaction r0868
In pathway: Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (anaerobic)
Reactant Hexahydro-1,3,5-trinitro-1,3,5-triazine → Product 1,3-Dinitro-1,2,3,4-tetrahydro-1,3,5-triazine
unspecific monooxygenase (Eawag BBD reaction r0870)       (EC 1.14.14.1)
In pathway: Hexahydro-1,3,5-trinitro-1,3,5-triazine

🗺️ All Pathways Containing This Compound

Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (anaerobic) Hexahydro-1,3,5-trinitro-1,3,5-triazine
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