Substrate
/
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
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Generation 1
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Dimethylamine
CNC
CHEBI
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Description
▾
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.
dealkylation
Probability 0.64
0.64
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Formaldehyde
dealkylation
Probability 0.64
0.64
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Methylamine
dealkylation
Probability 0.64
0.64
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Methanol
dealkylation
Probability 0.64
0.64
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Formic acid
hydroxylation
Probability 0.06
0.06
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Showing 5 of 7 metabolites
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