Substrate
/
Generation 1
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Generation 2
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
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
Show metabolites
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
Show metabolites
NC(=[NH2+])NCCCC(NC(=O)C1CCCN1C(=O)C1CSSCC([NH3+])C(=O)NC(CC23C=CC(=O)C(=O)C2O3)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
gsh
protein
cyanide
dna
Generation 3
Select a metabolite to form the next generation.
glutathionation
Probability 0.02
0.02
glutathionation
Probability 0.01
0.01
dna
Probability 0.00
0.00
protein
Probability 0.00
0.00
cyanide
Probability 0.00
0.00
Showing 5 of 12 metabolites
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