Substrate
/
Generation 1
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Generation 2
XenoSite
Alanylhistidine
CC(N)C(=O)NC(Cc1cnc[nH]1)C(=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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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
CC(N)C=O
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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
Methylglyoxal
CC(=O)C=O
CHEBI
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Description
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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 0.54
0.54
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protein
Probability 0.40
0.40
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dna
Probability 0.26
0.26
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cyanide
Probability 0.03
0.03
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