Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Arginyltyrosine
N=C(N)NCCCC(N)C(=O)NC(Cc1ccc(O)cc1)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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NC(CCCO)C(=O)NC(Cc1ccc(O)cc1)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
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O=C(CCCO)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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O=C1C=CC(=CC(NC(=O)C(=O)CCCO)C(=O)O)C=C1
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quinone formation · 0.12
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation