Substrate
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Generation 1
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Generation 2
XenoSite
Batzelladine a
CCCCCCCCCC1CC2CCC3C(C(=O)OCCCCCCCCCC4NC(=N)N5CCCC5=C4C(=O)OCCCCNC(=N)N)C(C)N=C(N1)N23
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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CCCCCCCCCC1CC2CCC3C(C(=O)O)C(C)N=C(N1)N23
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CCCCCCCCCC1CC2CCC3C(C(=O)O)C(C)N4OC4(N1)N23
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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 0.96
0.96
dealkylation
Probability 0.95
0.95
dealkylation
Probability 0.70
0.70
dealkylation
Probability 0.70
0.70
dealkylation
Probability 0.60
0.60
Showing 5 of 11 metabolites
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