Substrate
/
Generation 1
/
Generation 2
XenoSite
Abacavir glucuronide
Nc1nc(NC2CC2)c2ncn(C3C=CC(COC4OC(C(=O)O)C(O)C(O)C4O)C3)c2n1
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
Nc1nc(NC2CC2)c2nc[nH]c2n1
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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 2
Show metabolites
2,6-diaminopurine
Nc1nc(N)c2nc[nH]c2n1
CHEBI
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Description
▾
dealkylation · 0.15
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
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![Nc1nc(NC2CC2)c2nc[nH]c2n1 stable oxygenation 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%22190.3%22%20height%3D%22156.0%22%20viewBox%3D%2227.3%208.1%20190.3%20156.0%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_4252ce974c%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22130.3%22%20cy%3D%22111.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22171.5%22%20cy%3D%22102.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22175.4%22%20cy%3D%22114.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22183.7%22%20cy%3D%22105.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2297.4%22%20cy%3D%22111.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22151.4%22%20cy%3D%22115.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22109.2%22%20cy%3D%22107.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22121.0%22%20cy%3D%22103.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22109.9%22%20cy%3D%2250.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2278.8%22%20cy%3D%2294.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22107.4%22%20cy%3D%2262.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2288.1%22%20cy%3D%22103.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2260.0%22%20cy%3D%22119.5%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2268.1%22%20cy%3D%22101.1%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2292.5%22%20cy%3D%22122.7%22%20style%3D%22fill%3Argb(247%2C250%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22126.0%22%20cy%3D%2279.0%22%20style%3D%22fill%3Argb(246%2C249%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22139.6%22%20cy%3D%22119.9%22%20style%3D%22fill%3Argb(245%2C249%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2281.3%22%20cy%3D%2282.6%22%20style%3D%22fill%3Argb(244%2C248%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22123.5%22%20cy%3D%2291.2%22%20style%3D%22fill%3Argb(243%2C247%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2275.1%22%20cy%3D%22132.9%22%20style%3D%22fill%3Argb(241%2C246%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22116.7%22%20cy%3D%2270.8%22%20style%3D%22fill%3Argb(240%2C246%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2295.6%22%20cy%3D%2266.4%22%20style%3D%22fill%3Argb(233%2C241%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2257.3%22%20cy%3D%22107.4%22%20style%3D%22fill%3Argb(214%2C229%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2283.8%22%20cy%3D%2270.4%22%20style%3D%22fill%3Argb(204%2C223%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22163.2%22%20cy%3D%22112.0%22%20style%3D%22fill%3Argb(201%2C221%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2287.5%22%20cy%3D%22134.1%22%20style%3D%22fill%3Argb(182%2C208%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2262.7%22%20cy%3D%22131.7%22%20style%3D%22fill%3Argb(172%2C202%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22179.7%22%20cy%3D%2293.4%22%20style%3D%22fill%3Argb(124%2C170%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22187.6%22%20cy%3D%22117.0%22%20style%3D%22fill%3Argb(124%2C170%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22112.3%22%20cy%3D%2238.1%22%20style%3D%22fill%3Argb(96%2C150%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_4252ce974c%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_4252ce974c%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_4252ce974c%22%20style%3D%22stroke-width%3A2.0%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22lines%22%20style%3D%22stroke%3A%23D55E00%3Bstroke-width%3A2.0%3Bstroke-opacity%3A1%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22lines_xeno_4252ce974c%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m111.5%2042.5l-4.1%2020%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m107.4%2062.5l15.1%2013.4%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m106.5%2066.7l13.5%2012%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m125.1%2083.3l-4.1%2020.1%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m121%20103.4l15.2%2013.4%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m143.1%20118.7l20.1%20-6.7%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m163.2%201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![Nc1nc(NC2CC2)c2nc[nH]c2n1 unstable oxygenation 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%22190.3%22%20height%3D%22156.0%22%20viewBox%3D%2227.3%208.1%20190.3%20156.0%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_ac47ba4c67%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2297.4%22%20cy%3D%22111.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22107.4%22%20cy%3D%2262.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22121.0%22%20cy%3D%22103.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2278.8%22%20cy%3D%2294.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22126.0%22%20cy%3D%2279.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22163.2%22%20cy%3D%22112.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2283.8%22%20cy%3D%2270.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2262.7%22%20cy%3D%22131.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2257.3%22%20cy%3D%22107.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22179.7%22%20cy%3D%2293.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22187.6%22%20cy%3D%22117.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22109.2%22%20cy%3D%22107.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2287.5%22%20cy%3D%22134.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22112.3%22%20cy%3D%2238.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22139.6%22%20cy%3D%22119.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2288.1%22%20cy%3D%22103.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22171.5%22%20cy%3D%22102.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22175.4%22%20cy%3D%22114.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22183.7%22%20cy%3D%22105.2%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22116.7%22%20cy%3D%2270.8%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22123.5%22%20cy%3D%2291.2%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2295.6%22%20cy%3D%2266.4%22%20style%3D%22fill%3Argb(250%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2268.1%22%20cy%3D%22101.1%22%20style%3D%22fill%3Argb(249%2C251%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2292.5%22%20cy%3D%22122.7%22%20style%3D%22fill%3Argb(247%2C250%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2281.3%22%20cy%3D%2282.6%22%20style%3D%22fill%3Argb(243%2C247%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2260.0%22%20cy%3D%22119.5%22%20style%3D%22fill%3Argb(230%2C239%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22130.3%22%20cy%3D%22111.6%22%20style%3D%22fill%3Argb(211%2C227%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2275.1%22%20cy%3D%22132.9%22%20style%3D%22fill%3Argb(206%2C224%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22109.9%22%20cy%3D%2250.3%22%20style%3D%22fill%3Argb(198%2C219%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22151.4%22%20cy%3D%22115.9%22%20style%3D%22fill%3Argb(112%2C161%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_ac47ba4c67%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_ac47ba4c67%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_ac47ba4c67%22%20style%3D%22stroke-width%3A2.0%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22lines%22%20style%3D%22stroke%3A%23E69F00%3Bstroke-width%3A2.0%3Bstroke-opacity%3A1%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22lines_xeno_ac47ba4c67%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m111.5%2042.5l-4.1%2020%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m107.4%2062.5l15.1%2013.4%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m106.5%2066.7l13.5%2012%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m125.1%2083.3l-4.1%2020.1%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m121%20103.4l15.2%2013.4%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m143.1%20118.7l20.1%20-6.7%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m163.2%20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![Nc1nc(NC2CC2)c2nc[nH]c2n1 dehydrogenation 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![Nc1nc(NC2CC2)c2nc[nH]c2n1 hydrolysis 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