Substrate
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Generation 1
XenoSite
Bdsf
CCCCCCCCCC=CC(=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
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 1
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2-nonenic acid
CCCCCCC=CC(=O)O
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Select a metabolite to form the next generation.
hydrogenation
Probability 0.17
0.17
Nonanoic acid
hydroxylation
Probability 0.14
0.14
hydroxylation
Probability 0.14
0.14
(2<i>e</i>,8<i>r</i>)-8-hydroxynon-2-enoic acid
hydroxylation
Probability 0.10
0.10
(2<i>e</i>)-9-hydroxynon-2-enoic acid
hydroxylation
Probability 0.07
0.07
Showing 5 of 54 metabolites
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