Substrate
/
Generation 1
XenoSite
Anteisopalmitic acid
CCC(C)CCCCCCCCCCCC(=O)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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Oxobutane
CCC(C)=O
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.
dehydration
Probability 0.51
0.51
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Butane
dehydration
Probability 0.51
0.51
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15o
hydrogenation
Probability 0.51
0.51
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(2<i>s</i>)-butan-2-ol
oxygen reduction
Probability 0.51
0.51
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(2<i>s</i>)-butan-2-ol
hydroxylation
Probability 0.19
0.19
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Ethyl hydroxymethyl ketone
Showing 5 of 19 metabolites
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