Substrate
/
Generation 1
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Generation 2
XenoSite
Bathophenanthroline disulfonic acid
O=S(=O)(O)c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)O)cc4)ccnc23)cc1
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
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O=S(=O)(O)C1=CC=C(c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)O)cc4)ccnc23)C2OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
O=C1N=c2c(ccc3c(C4=CC=C(S(=O)(=O)O)C5OC45)ccnc23)=C(c2ccc(S(=O)(=O)O)cc2)C1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
dna
Probability 0.18
0.18
dna
Probability 0.18
0.18
glutathionation
Probability 0.05
0.05
protein
Probability 0.05
0.05
glutathionation
Probability 0.05
0.05
Showing 5 of 8 metabolites
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