Substrate
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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)=[NH2+])NC(=O)C([NH3+])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(CCC[NH+]=C(N)N)NC(=O)C([NH3+])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
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Generation 2
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(<i>s</i>)-3-phenyllactate
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.
hydroxylation
Probability 0.13
0.13
P-hydroxyphenyllactate
dealkylation
Probability 0.09
0.09
Toluene
dealkylation
Probability 0.09
0.09
Hydrogen ethanedioate
dealkylation
Probability 0.09
0.09
dehydration
Probability 0.08
0.08
15o
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