Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Amrubicin
CC(=O)C1(N)Cc2c(O)c3c(c(O)c2C(OC2CC(O)C(O)CO2)C1)C(=O)c1ccccc1C3=O
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 1
Show metabolites
CC(=O)C1(N)Cc2c(O)c3c(c(O)c2C(OC2CC(O)C(O)CO2)C1)C(=O)c1ccccc1C3
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC(=O)C1(N)C=c2c(O)c3c(c(O)c2=C(OC2CC(O)C(O)CO2)C1)C(=O)c1ccccc1C3
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Show metabolites
CC(=O)C1(N)C=c2c(O)c3c(c(O)c2=C(OC2CC(O)C(O)CO2)C1)C(=O)C1=CC2OC2C=C1C3
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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 0.15
0.15
glutathionation
Probability 0.15
0.15
dna
Probability 0.13
0.13
dna
Probability 0.12
0.12
glutathionation
Probability 0.07
0.07
Showing 5 of 12 metabolites
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