Substrate
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Generation 1
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Generation 2
XenoSite
Alpha-amanitine
CCC(C)C1NC(=O)CNC(=O)C2Cc3c([nH]c4cc(O)ccc34)S(=O)CC(NC(=O)CNC1=O)C(=O)NC(CC(N)=O)C(=O)N1CC(O)CC1C(=O)NC(C(C)C(O)CO)C(=O)N2
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CCC(C)C1NC(=O)CNC(=O)C2CC3=C(N=C4C=C(O)C(=O)C=C43)S(=O)CC(NC(=O)CNC1=O)C(=O)NC(CC(N)=O)C(=O)N1CC(O)CC1C(=O)NC(C(C)C(O)CO)C(=O)N2
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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
Show metabolites
CCC(C)C1NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C2CC(O)CN2C(=O)C(N)CC(N)=O)C(C)C(O)CO)CC2=C(N=C3C=C(O)C(=O)C=C32)S(=O)CC(C(=O)O)NC(=O)CNC1=O
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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.
glucuronidation
Probability 0.11
0.11
glucuronidation
Probability 0.08
0.08
glucuronidation
Probability 0.07
0.07
glucuronidation
Probability 0.06
0.06
glucuronidation
Probability 0.03
0.03