Substrate
/
Generation 1
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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Select a metabolite to form the next generation.
hydroxylation
Probability 0.13
0.13
hydroxylation
Probability 0.13
0.13
hydroxylation
Probability 0.08
0.08
hydroxylation
Probability 0.07
0.07
hydroxylation
Probability 0.07
0.07
Showing 5 of 121 metabolites
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