Substrate
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Generation 1
XenoSite
Bambuterol
CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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Trimethylcarbinol
CC(C)(C)O
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
Select a metabolite to form the next generation.
hydroxylation
Probability 0.29
0.29
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Isobutylene glycol
dealkylation
Probability 0.03
0.03
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Tennesine hydride
dealkylation
Probability 0.03
0.03
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Formaldehyde
dealkylation
Probability 0.03
0.03
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dealkylation
Probability 0.03
0.03
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Isopropanol
Showing 5 of 9 metabolites
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