Substrate
/
Generation 1
XenoSite
Asn-trp
NC(=O)CC(N)C(=O)NC(Cc1c[nH]c2ccccc12)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
Generation 1
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NC(=O)CC(N)C(=O)NC(CC1=CN=C2C=CC(=O)C=C12)C(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Select a metabolite to form the next generation.
hydrolysis
Probability 0.56
0.56
Dsg
hydrolysis
Probability 0.56
0.56
hydrolysis
Probability 0.56
0.56
dehydration
Probability 0.20
0.20
dehydration
Probability 0.20
0.20
15o
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