Substrate
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Generation 1
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Generation 2
XenoSite
Acskekfertkphvnvgtig
CCC(C)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(C)=O)C(C)O)C(C)C)C(C)C)C(C)O)C(=O)NCC(=O)O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CCC(C)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(NC(=O)C(CCCNC1(N)NO1)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(C)=O)C(C)O)C(C)C)C(C)C)C(C)O)C(=O)NCC(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CCC(C)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(C=C1N=CNC1=O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(NC(=O)C(CCCNC1(N)NO1)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(C)=O)C(C)O)C(C)C)C(C)C)C(C)O)C(=O)NCC(=O)O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 3
Select a metabolite to form the next generation.
glucuronidation
Probability 0.06
0.06
glucuronidation
Probability 0.04
0.04
glucuronidation
Probability 0.02
0.02
glucuronidation
Probability 0.02
0.02
glucuronidation
Probability 0.01
0.01
Showing 5 of 6 metabolites
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