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🧪 2,4,6-Trinitrotoluene

Appears in: 2 pathways
Produces: 8 compounds

Chemical Structure

2,4,6-Trinitrotoluene

📋 Properties

SMILES:
CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Database ID:
202
External:
View on PubChem ↗
🌟 Starting Compound: This compound serves as the root (starting point) for 2 degradation pathways.

🔬 Reactant

Reactant 2,4,6-Trinitrotoluene → Product 2-Amino-4,6-dinitrotoluene
NAD(P)H nitroreductase (Eawag BBD reaction r0476)       (EC 1.7.1.-)
In pathway: 2,4,6-Trinitrotoluene (anaerobic)
Reactant 2,4,6-Trinitrotoluene → Product 2-Hydroxylamino-4,6-dinitrotoluene
NAD(P)H nitroreductase (Eawag BBD reaction r0469)       (EC 1.7.1.-)
In pathway: 2,4,6-Trinitrotoluene (anaerobic)
Reactant 2,4,6-Trinitrotoluene → Product 4-Hydroxylamino-2,6-dinitrotoluene
nitrobenzene nitroreductase (Eawag BBD reaction r0465)       (EC 1.7.1.-)
In pathway: 2,4,6-Trinitrotoluene (anaerobic)
Reactant 2,4,6-Trinitrotoluene → Product 4-Amino-2,6-dinitrotoluene
NAD(P)H nitroreductase (Eawag BBD reaction r0460)       (EC 1.7.1.-)
In pathway: 2,4,6-Trinitrotoluene (anaerobic)
Reactant 2,4,6-Trinitrotoluene → Product 4-Hydroxylamino-2,6-dinitrotoluene
nitrobenzene nitroreductase (Eawag BBD reaction r0465)       (EC 1.7.1.-)
In pathway: Trinitrotoluene
Reactant 2,4,6-Trinitrotoluene → Product 2-Hydroxylamino-4,6-dinitrotoluene
NAD(P)H nitroreductase (Eawag BBD reaction r0469)       (EC 1.7.1.-)
In pathway: Trinitrotoluene
Reactant 2,4,6-Trinitrotoluene → Product 4-Amino-2,6-dinitrotoluene
NAD(P)H nitroreductase (Eawag BBD reaction r0460)       (EC 1.7.1.-)
In pathway: Trinitrotoluene
Reactant 2,4,6-Trinitrotoluene → Product 2-Amino-4,6-dinitrotoluene
NAD(P)H nitroreductase (Eawag BBD reaction r0476)       (EC 1.7.1.-)
In pathway: Trinitrotoluene

🗺️ All Pathways Containing This Compound

2,4,6-Trinitrotoluene (anaerobic) Trinitrotoluene
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