Substrate
/
Generation 1
XenoSite
Bcig
OCC1OC(Oc2c[nH]c3ccc(Br)c(Cl)c23)C(O)C(O)C1O
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
OCC1OC(Oc2c[nH]c3c2=C(Cl)C2(Br)OC2C=3)C(O)C(O)C1O
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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.
glutathionation
Probability 0.38
0.38
glutathionation
Probability 0.34
0.34
protein
Probability 0.25
0.25
dna
Probability 0.22
0.22
glutathionation
Probability 0.21
0.21
Showing 5 of 16 metabolites
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![OCC1OC(Oc2c[nH]c3c2=C(Cl)C2(Br)OC2C=3)C(O)C(O)C1O protein prediction](data:image/svg+xml;utf8,%3C%3Fxml%20version%3D%221.0%22%20%3F%3E%3Csvg%20xmlns%3D%22http%3A%2F%2Fwww.w3.org%2F2000%2Fsvg%22%20xmlns%3Axlink%3D%22http%3A%2F%2Fwww.w3.org%2F1999%2Fxlink%22%20version%3D%221.1%22%20baseProfile%3D%22full%22%20xml%3Aspace%3D%22preserve%22%20width%3D%22263.7%22%20height%3D%22168.4%22%20viewBox%3D%2245.9%2015.3%20263.7%20168.4%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_f9ee9cbef4%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22182.2%22%20cy%3D%22105.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22223.9%22%20cy%3D%22117.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22279.6%22%20cy%3D%2281.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22244.9%22%20cy%3D%2245.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22136.8%22%20cy%3D%22134.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22258.6%22%20cy%3D%22153.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22196.2%22%20cy%3D%2257.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22140.0%22%20cy%3D%2290.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2275.9%22%20cy%3D%22107.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2299.1%22%20cy%3D%22134.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22255.3%22%20cy%3D%2287.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22248.3%22%20cy%3D%22111.5%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22237.9%22%20cy%3D%2269.4%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22213.6%22%20cy%3D%2275.3%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22147.2%22%20cy%3D%2250.8%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22129.1%22%20cy%3D%2268.1%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22265.6%22%20cy%3D%22129.6%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22206.6%22%20cy%3D%2299.4%22%20style%3D%22fill%3Argb(248%2C250%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22164.9%22%20cy%3D%2287.3%22%20style%3D%22fill%3Argb(244%2C248%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22169.3%22%20cy%3D%2262.6%22%20style%3D%22fill%3Argb(179%2C207%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22104.1%22%20cy%3D%2266.3%22%20style%3D%22fill%3Argb(172%2C202%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22100.9%22%20cy%3D%22109.6%22%20style%3D%22fill%3Argb(155%2C191%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2290.0%22%20cy%3D%2287.0%22%20style%3D%22fill%3Argb(134%2C177%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22125.9%22%20cy%3D%22111.4%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22125.9%22%20cy%3D%22111.4%22%20style%3D%22fill%3Argb(28%2C92%2C255)%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22mol_halo%22%20style%3D%22stroke%3Awhite%3Bopacity%3A0.5%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22mol_halo_xeno_f9ee9cbef4%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_f9ee9cbef4%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_f9ee9cbef4%22%20style%3D%22stroke-width%3A2.0%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22lines%22%20style%3D%22stroke%3A%23000000%3Bstroke-width%3A2.0%3Bstroke-opacity%3A1%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22lines_xeno_f9ee9cbef4%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m259.9%20149.3l5.7%20-19.7%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m265.6%20129.6l-17.3%20-18.1%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m248.3%20111.5l-20.3%205%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m219.8%20113.2l-13.2%20-13.8%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m206.6%2099.4l-20.3%205%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m178.1%20101.1l-13.2%20-13.8%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m164.9%2087.3l4.4%20-24.7%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m161.7%2083.9l3.4%20-19.3%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m169.3%2062.6l-18.6%20-10%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m143.7%2054.1l-14.6%2014%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-9%20atom-10%22%20d%3D%22m129.1%2068.1l10.9%2022.6%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m140%2090.7l-14.1%2020.7%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m1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