Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Arachidonoylserotonin
CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
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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CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC=C1C(=O)Nc2ccc(O)cc21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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CCCCCC=CCC=CCC1OC1CC=CCCCC(=O)NCC=C1C(=O)Nc2ccc(O)cc21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
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O=C1Nc2ccc(O)cc2C1=CCO
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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 4
Select a metabolite to form the next generation.
dehydration
Probability 0.20
0.20
15o
dehydration
Probability 0.20
0.20
hydrogenation
Probability 0.20
0.20
oxygen reduction
Probability 0.20
0.20
hydrogenation
Probability 0.13
0.13
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