Substrate
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Generation 1
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Generation 2
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Generation 3
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Generation 4
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
Generation 1
Show metabolites
CNC1C(O)=C(C(N)=O)C(=O)C2(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
CNC1C2CC3C(=C(O)C2(O)C(=O)C2(C(N)=O)OC12O)C(=O)c1c(O)ccc(Cl)c1C3(C)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CNC1C2CC3C(=C(O)C2(O)C(=O)C2(C(N)=O)OC12O)C(=O)C1=C(O)C(=O)C(=O)C(Cl)=C1C3(C)O
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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 4
Show metabolites
CNC1C2CC3C(=C(O)C2(O)C(=O)C2(C(N)=O)OC12O)C(=O)C1=C(O)CC(=O)C(Cl)=C1C3(C)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 5
Maximum generation reached — metabolites here can't start another hop.
glucuronidation
Probability 0.34
0.34
glucuronidation
Probability 0.19
0.19
glucuronidation
Probability 0.02
0.02
glucuronidation
Probability 0.01
0.01
glucuronidation
Probability 0.00
0.00