Substrate
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Generation 1
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Generation 2
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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Generation 1
Show metabolites
CCCCCCCCCCCCC=CC(O)C(N)=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
Show metabolites
CCCCCCCCCCCC=CC(O)C(N)=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 3
Select a metabolite to form the next generation.
hydrolysis
Probability 0.21
0.21
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hydrolysis
Probability 0.21
0.21
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hydrolysis
Probability 0.21
0.21
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((sup 13)n)ammonia
hydrogenation
Probability 0.20
0.20
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hydroxylation
Probability 0.11
0.11
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Showing 5 of 131 metabolites
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