Substrate
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Generation 1
XenoSite
Amrubicin
CC(=O)C1(N)Cc2c(O)c3c(c(O)c2C(OC2CC(O)C(O)CO2)C1)C(=O)c1ccccc1C3=O
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 1
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CCC1(N)Cc2c(O)c3c(c(O)c2C(OC2CC(O)C(O)CO2)C1)C(=O)c1ccccc1C3=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Loading…
stable oxygenation
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unstable oxygenation
Loading…
dehydrogenation
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reduction
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hydrolysis
Generation 2
Select a metabolite to form the next generation.
hydrogenation
Probability 0.12
0.12
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hydrogenation
Probability 0.12
0.12
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dealkylation
Probability 0.12
0.12
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dealkylation
Probability 0.12
0.12
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hydroxylation
Probability 0.05
0.05
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Showing 5 of 154 metabolites
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