Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Chlortetracycline
CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
Show metabolites
CN(C)C1C(O)=C(C(N)=O)CC2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CN(C)C1C(O)=C(C(N)=O)CC2(O)C(O)=C3C(=O)C4=C(C(Cl)=CC(=O)C4=O)C(C)(O)C3CC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CN(C)C1C(O)=C(C(N)=O)CC2(O)C1CC1C(C)(O)C3=C(C(=O)C(=O)C=C3Cl)C(=O)C13OC23O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
dna
Probability 0.31
0.31
protein
Probability 0.22
0.22
glutathionation
Probability 0.09
0.09
glutathionation
Probability 0.03
0.03
protein
Probability 0.02
0.02
Showing 5 of 12 metabolites
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