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
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Generation 1
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CC(=O)C1(N)C=c2c(O)c3c(c(O)c2=C(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
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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 2
Select a metabolite to form the next generation.
hydrogenation
Probability 0.17
0.17
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dealkylation
Probability 0.10
0.10
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dealkylation
Probability 0.10
0.10
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dealkylation
Probability 0.10
0.10
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(2s,4r,5s)-tetrahydropyran-2,4,5-triol
hydrogenation
Probability 0.10
0.10
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Showing 5 of 106 metabolites
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