Substrate
/
Generation 1
XenoSite
Bambermicina
C=C(CC=C(C)CCC=C(C)C)CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)OC1OC(C(=O)O)C(C)(O)C(OC(N)=O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C(=O)NC4=C(O)CCC4=O)C(O)C(O)C3O)C(O)C2NC(C)=O)C(O)C1NC(C)=O)C(=O)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
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C=C(CCC(C)(C)C=CCCC(C)=CCOC(COP(=O)(O)OC1OC(C(=O)O)C(C)(O)C(OC(N)=O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C(=O)NC4=C(O)CCC4=O)C(O)C(O)C3O)C(O)C2NC(C)=O)C(O)C1NC(C)=O)C(=O)O)CC1OC1(C)CCC=C(C)C
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
gsh
protein
cyanide
dna
Generation 2
Select a metabolite to form the next generation.
cyanide
Probability 0.00
0.00
cyanide
Probability 0.00
0.00
cyanide
Probability 0.00
0.00
glutathionation
Probability 0.00
0.00
protein
Probability 0.00
0.00
Showing 5 of 12 metabolites
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