Substrate
/
Generation 1
/
Generation 2
XenoSite
Anthraniloyl-coa
CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1N
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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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Nc1ccccc1C(=O)SCCNC(=O)CC=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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NC12OC1C=CC=C2C(=O)SCCNC(=O)CC=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.
glutathionation
Probability 0.70
0.70
glutathionation
Probability 0.69
0.69
dna
Probability 0.63
0.63
protein
Probability 0.49
0.49
dna
Probability 0.26
0.26
Showing 5 of 16 metabolites
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