Substrate
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Generation 1
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Generation 2
XenoSite
Bacampicillin
CCOC(=O)OC(C)OC(=O)C1N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1(C)C
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
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CC(OC=O)OC(=O)C1N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1(C)C
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(OC=O)OC(=O)C1N2C(=O)C(NC(=O)C(N)C3=CC(=O)C(=O)C=C3)C2SC1(C)C
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
dealkylation
Probability 0.11
0.11
dealkylation
Probability 0.11
0.11
dealkylation
Probability 0.09
0.09
dealkylation
Probability 0.09
0.09
dealkylation
Probability 0.09
0.09
Showing 5 of 13 metabolites
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