Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Arginyltyrosine
N=C(N)NCCCC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)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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Generation 1
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NC(CCCO)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
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L-tyrosine-13c6
NC(Cc1ccc(O)cc1)C(=O)O
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
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2,4,5-trihydroxyphenylalanine quinone
NC(CC1=CC(=O)C(O)=CC1=O)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
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.68
0.68
glutathionation
Probability 0.56
0.56
protein
Probability 0.56
0.56
protein
Probability 0.14
0.14
dna
Probability 0.04
0.04
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