Substrate
/
Generation 1
XenoSite
Aetiocholanolone
CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=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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3alpha,16alpha-dihydroxy-5β-androstan-17-one
CC12CCC3C(CCC4CC(O)CCC43C)C1CC(O)C2=O
CHEBI
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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.
dehydration
Probability 0.44
0.44
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dehydration
Probability 0.44
0.44
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15o
hydrogenation
Probability 0.44
0.44
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oxygen reduction
Probability 0.44
0.44
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hydroxylation
Probability 0.08
0.08
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Showing 5 of 132 metabolites
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