Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Acetylcaranine
CC(=O)OC1CC=C2CCN3Cc4cc5c(cc4C1C23)OCO5
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CC(=O)OC1CC=C(CC(=O)O)C2NCc3cc4c(cc3C12)OCO4
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(=O)OC1CC=C(CC(=O)O)C2NCC34OC3C3=C(C=C4C12)OCO3
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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
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O=C(O)CC1=CCC(O)C2C3=CC4=C(OCO4)C4OC34CNC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.14
0.14
dna
Probability 0.05
0.05
protein
Probability 0.04
0.04
dna
Probability 0.04
0.04
glutathionation
Probability 0.01
0.01
Showing 5 of 8 metabolites
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