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
Paracetamol
CC(=O)Nc1ccc(O)cc1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
Show metabolites
Hydroquinone
Oc1ccc(O)cc1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Show metabolites
OC1=CC=C(O)C2OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Show metabolites
Oc1ccc(O)c2c1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 4
Show metabolites
OC1=CC=C(O)C23OC12O3
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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gsh
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protein
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cyanide
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dna
Generation 5
Maximum generation reached — metabolites here can't start another hop.
dna
Probability 0.44
0.44
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glutathionation
Probability 0.34
0.34
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protein
Probability 0.27
0.27
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cyanide
Probability 0.00
0.00
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