Substrate
/
Generation 1
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Generation 2
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
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Generation 1
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CC(=O)OC1CC=C2CCN3CC45OC4C4=C(C=C5C1C23)OCO4
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 2
Show metabolites
CC(=O)OC1CC=C2CCNC2C1C1=CC2=C(OCO2)C2OC12C=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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gsh
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protein
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cyanide
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dna
Generation 3
Select a metabolite to form the next generation.
protein
Probability 0.29
0.29
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glutathionation
Probability 0.18
0.18
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cyanide
Probability 0.06
0.06
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dna
Probability 0.05
0.05
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glutathionation
Probability 0.05
0.05
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Showing 5 of 12 metabolites
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