Substrate
/
Generation 1
/
Generation 2
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
▾
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
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
dna
Probability 0.35
0.35
protein
Probability 0.27
0.27
glutathionation
Probability 0.11
0.11
cyanide
Probability 0.00
0.00