Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Arginylphenylalanine
N=C(N)NCCCC(N)C(=O)NC(Cc1ccccc1)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
Show metabolites
2-(<i>s</i>)-amino-5-guanidinopentanoic acid amide
N=C(N)NCCCC(N)C(N)=O
CHEBI
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Description
▾
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
N=C(N)NCCCC(N)C=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
Show metabolites
NC(C=O)CCCNC1(N)NO1
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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 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.35
0.35
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protein
Probability 0.33
0.33
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dna
Probability 0.14
0.14
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cyanide
Probability 0.09
0.09
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