Substrate
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Generation 1
XenoSite
Asperamide b
CCCCCCCCCCCCC=CC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=C(C)CCCCCCCCCCC
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
Show metabolites
CCCCCCCCCCCCC=CC(O)C=O
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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.
hydrogenation
Probability 0.28
0.28
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hydrogenation
Probability 0.21
0.21
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(2<i>r</i>)-hydroxyhexadecanal
hydroxylation
Probability 0.12
0.12
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hydroxylation
Probability 0.07
0.07
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hydroxylation
Probability 0.07
0.07
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Showing 5 of 81 metabolites
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