Substrate
/
Generation 1
/
Generation 2
XenoSite
Nalidixic acid
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
Cc1ccc2c(=O)c(C(=O)O)c[nH]c2n1
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Show metabolites
CC12N=c3[nH]cc(C(=O)O)c(=O)c3=CC1O2
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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 0.99
0.99
%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22209.1%22%20cy%3D%22111.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22119.5%22%20cy%3D%22140.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22135.7%22%20cy%3D%22126.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2294.8%22%20cy%3D%22112.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22192.9%22%20cy%3D%22126.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22156.2%22%20cy%3D%22133.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22152.0%22%20cy%3D%22112.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22111.0%22%20cy%3D%2298.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22115.2%22%20cy%3D%22119.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2278.5%22%20cy%3D%22126.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22127.2%22%20cy%3D%2284.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22168.2%22%20cy%3D%2297.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2274.3%22%20cy%3D%22105.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22147.7%22%20cy%3D%2291.0%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22139.2%22%20cy%3D%2248.6%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22188.7%22%20cy%3D%22104.8%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%2216.0%22%20cx%3D%22143.5%22%20cy%3D%2269.8%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%2213.3%22%20cx%3D%22143.5%22%20cy%3D%2269.8%22%20style%3D%22fill%3Argb(0%2C200%2C36)%22%2F%3E%3Ccircle%20r%3D%229.8%22%20cx%3D%22143.5%22%20cy%3D%2269.8%22%20style%3D%22fill%3Argb(197%2C204%2C0)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22143.5%22%20cy%3D%2269.8%22%20style%3D%22fill%3Argb(217%2C188%2C0)%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_cb18c6d351%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_cb18c6d351%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_cb18c6d351%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_cb18c6d351%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m131%2039.2l16.5%2018.7%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m147.5%2057.9l-6.6%2019.3%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m136%2082.3l-21%204.2%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m115%2086.5l-8%2023.6%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m117.9%2089.7l-6.7%2019.6%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m107%20110.1l-24.5%204.9%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m81.1%20113.4l-6.9%2020.3%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m84.6%20114.6l-6.8%2020.3%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-5%20atom-7%22%20d%3D%22m82.5%20115l-12.5%20-14.2%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-4%20atom-8%22%20d%3D%22m107%20110.1l16.5%2018.8%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m122.1%20127.3l-6.9%2020.2%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m125.6%20128.4l-6.9%2020.3%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-8%20atom-10%22%20d%3D%22m123.5%20128.9l24.5%20-4.9%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m148%20124l16.4%2018.7%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m152.2%20123.1l13.6%2015.5%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m164.4%20142.7l24.5%20-4.9%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m188.9%20137.8l8%20-23.6%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m186%20134.6l6.7%20-19.6%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m196.9%20114.2l24.5%20-4.9%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-13%20atom-15%22%20d%3D%22m196.9%20114.2l-13%20-14.8%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-15%20atom-16%22%20d%3D%22m176.9%2096.1l-21%204.2%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-15%20atom-16%22%20d%3D%22m177.7%2099.8l-18.9%203.8%22%2F%3E%3Cpath%20class%3D%22bond-16%20atom-16%20atom-2%22%20d%3D%22m155.9%20100.3l-12.9%20-14.7%22%2F%3E%3Cpath%20class%3D%22bond-17%20atom-16%20at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![Cc1ccc2c(=O)c(C(=O)O)c[nH]c2n1 Epoxidation 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%22215.8%22%20height%3D%22131.1%22%20viewBox%3D%2225.6%202.4%20215.8%20131.1%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_a665c00958%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22203.1%22%20cy%3D%2279.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22129.4%22%20cy%3D%2294.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22108.9%22%20cy%3D%2287.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22125.2%22%20cy%3D%2272.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2288.4%22%20cy%3D%2280.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2267.8%22%20cy%3D%2273.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22149.9%22%20cy%3D%22101.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22157.9%22%20cy%3D%2244.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22121.0%22%20cy%3D%2251.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22182.6%22%20cy%3D%2272.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22141.6%22%20cy%3D%2258.5%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22162.1%22%20cy%3D%2265.5%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22166.2%22%20cy%3D%2286.8%22%20style%3D%22fill%3Argb(250%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22198.9%22%20cy%3D%2258.3%22%20style%3D%22fill%3Argb(247%2C250%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22100.5%22%20cy%3D%2244.5%22%20style%3D%22fill%3Argb(233%2C241%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2284.2%22%20cy%3D%2258.7%22%20style%3D%22fill%3Argb(205%2C223%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_a665c00958%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_a665c00958%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_a665c00958%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_a665c00958%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m55.6%2075.4l24.5%20-4.8%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m80.1%2070.6l8.1%20-23.7%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m84.4%2069.7l6.7%20-19.6%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m88.2%2046.9l24.6%20-4.9%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m112.8%2042l16.5%2018.9%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m111.4%2046.1l13.6%2015.6%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m129.3%2060.9l24.5%20-4.8%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m155.3%2057.7l6.9%20-20.2%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m151.7%2056.5l6.9%20-20.2%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-5%20atom-7%22%20d%3D%22m153.8%2056.1l16.5%2018.8%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m170.3%2074.9l24.6%20-4.8%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m196.3%2071.7l6.9%20-20.1%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m192.7%2070.5l6.9%20-20.2%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-8%20atom-10%22%20d%3D%22m194.9%2070.1l12.6%2014.5%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-7%20atom-11%22%20d%3D%22m170.3%2074.9l-8.1%2023.7%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-7%20atom-11%22%20d%3D%22m166%2075.8l-6.7%2019.6%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m162.2%2098.6l-21.1%204.2%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m134.1%2099.4l-12.9%20-14.8%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m121.2%2084.6l-21.1%204.1%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m118.3%2081.3l-18.9%203.7%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-14%20atom-1%22%20d%3D%22m93.1%2085.4l-13%20-14.8%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-13%20atom-4%22%20d%3D%22m121.2%2084.6l8.1%20-23.7%22%2F%3E%3Cpath%20d%3D%22m87.8%2048l0.4%20-1.1%20l1.3%20-0.3%22%2F%3E%3Cpath%20d%3D%22m111.6%2042.3l1.2%20-0.3%20l0.8%201%22%2F%3E%3Cpath%20d%3D%22m152.6%2056.3l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![CC12N=c3[nH]cc(C(=O)O)c(=O)c3=CC1O2 UGT Conjugation 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