Substrate
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Generation 1
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Generation 2
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Generation 3
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
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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
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Dl-indole-3-lactic-acid
O=C(O)C(O)Cc1c[nH]c2ccccc12
CHEBI
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
Show metabolites
O=C1C=CC2=NC=C(CC(O)C(=O)O)C2=C1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 4
Select a metabolite to form the next generation.
epoxidation
Probability 0.09
0.09
epoxidation
Probability 0.02
0.02
epoxidation
Probability 0.02
0.02
epoxidation
Probability 0.00
0.00