Substrate
/
Generation 1
XenoSite
Allocholanic acid
CC(CCC(=O)O)C1CCC2C3CCC4CCCCC4(C)C3CCC12C
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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3-ketocholanic acid
CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
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 0.31
0.31
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Allocholanic acid
dehydration
Probability 0.31
0.31
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15o
hydrogenation
Probability 0.31
0.31
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3a-hydroxycholanoic acid
oxygen reduction
Probability 0.31
0.31
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3a-hydroxycholanoic acid
hydroxylation
Probability 0.09
0.09
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Showing 5 of 173 metabolites
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