Substrate
/
Generation 1
XenoSite
Batzelladine a
CCCCCCCCCC1CC2CCC3C(C(=O)OCCCCCCCCCC4NC(=N)N5CCCC5=C4C(=O)OCCCCNC(=N)N)C(C)N=C(N1)N23
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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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N=C(N)NCCCCOC(=O)C1=C2CCCN2C(=N)NC1CCCCCCCCCO
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Select a metabolite to form the next generation.
dealkylation
Probability 0.78
0.78
dealkylation
Probability 0.78
0.78
dealkylation
Probability 0.78
0.78
dealkylation
Probability 0.12
0.12
Guanidine
dealkylation
Probability 0.12
0.12
Showing 5 of 16 metabolites
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