Substrate
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Generation 1
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Generation 2
XenoSite
Aadg
CC(=O)NC1C(NC(=O)CC(N)C(=O)O)OC(CO)C(O)C1O
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
Aspartic β-semialdehyde
NC(CC=O)C(=O)O
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
Formylpyruvate
O=CCC(=O)C(=O)O
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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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 0.81
0.81
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protein
Probability 0.53
0.53
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dna
Probability 0.39
0.39
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cyanide
Probability 0.04
0.04
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