Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Argipressin
NC(=[NH2+])NCCCC(NC(=O)C1CCCN1C(=O)C1CSSCC([NH3+])C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 1
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NC(=[NH2+])NCCCC(NC(=O)C1CCCN1C(=O)C1CSSCC([NH3+])C(=O)NC(CC2=CC(=O)C(=O)C=C2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
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NC(=O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(CC23C=CC(=O)C(=O)C2O3)NC(=O)C([NH3+])CSSCC(C(=O)N2CCCC2C(=O)NC(CCC[NH+]=C(N)N)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC1=O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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Generation 3
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Glyoxylic acid amide
NC(=O)C=O
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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 4
Select a metabolite to form the next generation.
dehydration
Probability 0.57
0.57
Acetamide
dehydration
Probability 0.57
0.57
15o
hydrogenation
Probability 0.57
0.57
Glycollamide
oxygen reduction
Probability 0.57
0.57
Glycollamide
dehydration
Probability 0.11
0.11
Aminoacetaldehyde
Showing 5 of 23 metabolites
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