Substrate
/
Generation 1
/
Generation 2
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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Tryptophan
NC(Cc1c[nH]c2ccccc12)C(=O)O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Show metabolites
C=CC=c1c(CC(N)C(=O)O)c[nH]c1=C=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
epoxidation
Probability 0.44
0.44
epoxidation
Probability 0.14
0.14
epoxidation
Probability 0.12
0.12
epoxidation
Probability 0.01
0.01