Substrate
/
Generation 1
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Generation 2
XenoSite
Angiotensin ii
CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CC(=O)O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O
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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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CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CC(=O)O)C(C)C)C(=O)NC(CC12NC=NC1O2)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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Phenylpyruvate
O=C(O)C(=O)Cc1ccccc1
CHEBI
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Description
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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 3
Select a metabolite to form the next generation.
dehydration
Probability 0.43
0.43
15o
dehydration
Probability 0.43
0.43
Phenylpropanoate
hydrogenation
Probability 0.43
0.43
<small>l</small>-(−)-3-phenyllactic acid
oxygen reduction
Probability 0.43
0.43
<small>l</small>-(−)-3-phenyllactic acid
hydroxylation
Probability 0.13
0.13
P-hydroxyphenylpyruvic acid
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