Substrate
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Generation 1
XenoSite
Aclacinomycin s
CCC1(O)CC(OC2CC([NH+](C)C)C(OC3CC(O)C(O)C(C)O3)C(C)O2)c2c(cc3c(c2[O-])C(=O)c2c(O)cccc2C3=O)C1C(=O)OC
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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CC1OC(=O)CC(O)C1O
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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.
hydroxylation
Probability 0.12
0.12
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hydroxylation
Probability 0.12
0.12
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<small>l</small>-fucono-1,5-lactone
hydrolysis
Probability 0.11
0.11
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3,4,5-trihydroxy-hexanoic acid
hydrolysis
Probability 0.11
0.11
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Boivinose
dehydration
Probability 0.10
0.10
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Showing 5 of 50 metabolites
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