Substrate
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Generation 1
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Generation 2
XenoSite
Aspartamum
COC(=O)C(Cc1ccccc1)NC(=O)C(N)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
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Generation 1
Show metabolites
COC(=O)C(CC12C=CC=CC1O2)NC(=O)C(N)CC(=O)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
COC(=O)C(N)CC12C=CC=CC1O2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.54
0.54
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dna
Probability 0.23
0.23
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protein
Probability 0.12
0.12
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cyanide
Probability 0.01
0.01
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