Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Arginylmethionine
CSCCC(NC(=O)C(N)CCCNC(=N)N)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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2-(<i>s</i>)-amino-5-guanidinopentanoic acid amide
N=C(N)NCCCC(N)C(N)=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 2
Show metabolites
NC(=O)C(N)CCCNC1(N)NO1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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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 3
Show metabolites
NCCCC(N)C(N)=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 4
Select a metabolite to form the next generation.
n dealkylation
Probability 0.15
0.15
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((sup 13)n)ammonia
n dealkylation
Probability 0.15
0.15
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(4<i>r</i>)-4,5-diamino-5-oxopentanoic acid
n dealkylation
Probability 0.15
0.15
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n dealkylation
Probability 0.15
0.15
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n dealkylation
Probability 0.01
0.01
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((sup 13)n)ammonia
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