Substrate
/
Generation 1
XenoSite
Alanylphenylalanine
CC(N)C(=O)NC(Cc1ccccc1)C(=O)O
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CC(N)C(=O)NC(CC1=CC=CC2OC12)C(=O)O
Copy JSON
epoxidation · 0.02
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%224.358333333333333%22%20r%3D%220.5%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%224.358333333333333%22%20r%3D%220.5%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%223.2472222222222222%22%20r%3D%220.7071067811865476%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%222.136111111111111%22%20r%3D%220.8660254037844386%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%221.025%22%20r%3D%221%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%223.2472222222222222%22%20r%3D%220.5%22%20fill%3D%22rgb(0%2C200%2C37)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%223.2472222222222222%22%20r%3D%220.5%22%20fill%3D%22rgb(0%2C200%2C37)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%222.136111111111111%22%20r%3D%220.7071067811865476%22%20fill%3D%22rgb(0%2C200%2C37)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%221.025%22%20r%3D%220.8660254037844386%22%20fill%3D%22rgb(0%2C200%2C37)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%222.136111111111111%22%20r%3D%220.5%22%20fill%3D%22rgb(197%2C204%2C0)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%222.136111111111111%22%20r%3D%220.5%22%20fill%3D%22rgb(197%2C204%2C0)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%221.025%22%20r%3D%220.7071067811865476%22%20fill%3D%22rgb(197%2C204%2C0)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%221.025%22%20r%3D%220.5%22%20fill%3D%22rgb(255%2C47%2C0)%22%2F%3E%3Cline%20x1%3D%221.025%22%20y1%3D%221.375%22%20x2%3D%221.025%22%20y2%3D%222.897222222222222%22%20stroke%3D%22%23111%22%20stroke-width%3D%220.06%22%2F%3E%3Cline%20x1%3D%221.025%22%20y1%3D%223.5972222222222223%22%20x2%3D%221.025%22%20y2%3D%225.119444444444445%22%20stroke%3D%22%23111%22%20stroke-width%3D%220.06%22%2F%3E%3Cline%20x1%3D%220.6749999999999999%22%20y1%3D%222.136111111111111%22%20x2%3D%221.375%22%20y2%3D%222.136111111111111%22%20stroke%3D%22%23111%22%20stroke-width%3D%220.06%22%2F%3E%3Cline%20x1%3D%220.6749999999999999%22%20y1%3D%224.358333333333333%22%20x2%3D%221.375%22%20y2%3D%224.358333333333333%22%20stroke%3D%22%23111%22%20stroke-width%3D%220.06%22%2F%3E%3Ctext%20x%3D%221.025%22%20y%3D%221.025%22%20text-anchor%3D%22middle%22%20dominant-baseline%3D%22central%22%20fill%3D%22%23111%22%20stroke%3D%22%23fff%22%20stroke-width%3D%220.18%22%20paint-order%3D%22stroke%22%20font-size%3D%220.72%22%20font-weight%3D%22600%22%20font-family%3D%22system-ui%2Csans-serif%22%3E1.0%3C%2Ftext%3E%3Ctext%20x%3D%221.025%22%20y%3D%223.2472222222222222%22%20text-anchor%3D%22middle%22%20dominant-baseline%3D%22central%22%20fill%3D%22%23111%22%20stroke%3D%22%23fff%22%20stroke-width%3D%220.18%22%20paint-order%3D%22stroke%22%20font-size%3D%220.72%22%20font-weight%3D%22600%22%20font-family%3D%22system-ui%2Csans-serif%22%3E0.5%3C%2Ftext%3E%3Ctext%20x%3D%221.025%22%20y%3D%225.469444444444445%22%20text-anchor%3D%22middle%22%20dominant-baseline%3D%22central%22%20fill%3D%22%23111%22%20stroke%3D%22%23fff%22%20stroke-width%3D%220.18%22%20paint-order%3D%22stroke%22%20font-size%3D%220.72%22%20font-weight%3D%22600%22%20font-family%3D%22system-ui%2Csans-serif%22%3E0.0%3C%2Ftext%3E%3C%2Fsvg%3E){kind=small}
%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2281.6%22%20cy%3D%2253.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22142.2%22%20cy%3D%22115.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2279.0%22%20cy%3D%22131.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22121.1%22%20cy%3D%22120.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2290.8%22%20cy%3D%2289.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2260.6%22%20cy%3D%2258.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2269.8%22%20cy%3D%2294.9%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22100.0%22%20cy%3D%22126.0%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2275.7%22%20cy%3D%2274.0%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2294.1%22%20cy%3D%22146.9%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22148.1%22%20cy%3D%2294.5%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22163.2%22%20cy%3D%22110.1%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22154.0%22%20cy%3D%2273.6%22%20style%3D%22fill%3Argb(238%2C244%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22184.3%22%20cy%3D%22104.8%22%20style%3D%22fill%3Argb(238%2C244%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22175.1%22%20cy%3D%2268.3%22%20style%3D%22fill%3Argb(227%2C237%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22190.2%22%20cy%3D%2283.9%22%20style%3D%22fill%3Argb(227%2C237%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_3182732486%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_3182732486%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_3182732486%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_3182732486%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m48.5%2055l24.1%206.8%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m72.6%2061.8l14.5%20-14%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-1%20atom-3%22%20d%3D%22m72.6%2061.8l6.2%2024.3%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m78.2%2084l-14.6%2014.3%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m80.9%2086.7l-14.7%2014.3%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-3%20atom-5%22%20d%3D%22m78.8%2086.1l20.6%205.9%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m104%2097.4l5%2019.9%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m109%20117.3l24.2%206.9%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m133.2%20124.2l18%20-17.5%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m151.2%20106.7l-6.2%20-24.3%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m154.3%20103.7l-5.1%20-20.1%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-9%20atom-10%22%20d%3D%22m145%2082.4l18%20-17.5%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m163%2064.9l24.1%206.9%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m164.1%2069.1l19.9%205.7%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m187.1%2071.8l6.2%2024.3%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m193.3%2096.1l-18%2017.4%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m189.1%2094.9l-14.9%2014.4%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-6%20atom-14%22%20d%3D%22m109%20117.3l-18%2017.5%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-14%20atom-15%22%20d%3D%22m88.9%20134.2l5.3%2020.9%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-14%20atom-15%22%20d%3D%22m92.6%20133.3l5.3%2020.9%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-14%20atom-16%22%20d%3D%22m91%20134.8l-20%20-5.7%22%2F%3E%3Cpath%20class%3D%22bond-16%20atom-13%20atom-8%22%20d%3D%22m175.3%20113.5l-24.1%20-6.8%22%2F%3E%3Cpath%20d%3D%22m78.5%2084.9l0.3%201.2%20l1%200.3%22%2F%3E%3Cpath%20d%3D%22m132%20123.8l1.2%200.4%20l0.9%20-0.9%22%2F%3E%3Cpath%20d%3D%22m145.3%2083.6l-0.3%20-1.2%20l0.9%20-0.9%22%2F%3E%3Cpath%20d%3D%22m162.1%2065.8l0.9%20-0.9%20l1.2%200.3%22%2F%3E%3Cpath%20d%3D%22m185.9%2071.4l1.2%200.4%20l0.4%201.2%22%2F%3E%3Cpath%20d%3D%22m193%2094.9l0.3%201.2%20l-0.9%200.8%22%2F%3E%3Cpath%20d%3D%22m176.2%20112.7l-0.9%200.8%20l-1.2%20-0.3%22%2F%3E%3Cpath%20d%3D%22m91.9%20133.9l-0.9%200.9%20l-1%20-0.3%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_3182732486%22%3E%3Cpath%20class%3D%22atom-2%22%20d%3D%22M%2089.1%2040.8%20L%2091.4%2044.6%20Q%2091.6%2044.9%2C%2092.0%2045.6%20Q%2092.4%2046.3%2C%2092.4%2046.3%20L%2092.4%2040.8%20L%2093.3%2040.8%20L%2093.3%2047.9%20L%2092.4%2047.9%20L%2089.9%2043.8%20Q%2089.6%2043.3%2C%2089.3%2042.8%20Q%2089.0%2042.2%2C%2088.9%2042.0%20L%2088.9%2047.9%20L%2087.9%2047.9%20L%2087.9%2040.8%20L%2089.1%2040.8%20%22%2F%3E%3Cpath%20class%3D%22atom-2%22%20d%3D%22M%2094.7%2040.8%20L%2095.7%2040.8%20L%2095.7%2043.8%20L%2099.3%2043.8%20L%2099.3%2040.8%20L%20100.3%2040.8%20L%20100.3%2047.9%20L%2099.3%2047.9%20L%2099.3%2044.6%20L%2095.7%2044.6%20L%2095.7%2047.9%20L%2094.7%2047.9%20L%2094.7%2040.8%20%22%2F%3E%3Cpath%20class%3D%22atom-2%22%20d%3D%22M%20101.6%2047.7%20Q%20101.8%2047.2%2C%20102.2%2047.0%20Q%20102.6%2046.7%2C%20103.2%2046.7%20Q%20103.9%2046.7%2C%20104.3%2047.1%20Q%20104.7%2047.5%2C%20104.7%2048.2%20Q%20104.7%2048.9%2C%20104.2%2049.5%20Q%20103.7%2050.2%2C%20102.6%2050.9%20L%20104.8%2050.9%20L%20104.8%2051.5%20L%20101.6%2051.5%20L%20101.6%2051.0%20Q%20102.5%2050.4%2C%20103.0%2049.9%20Q%20103.5%2049.5%2C%20103.8%2049.0%20Q%20104.0%2048.6%2C%20104.0%2048.2%20Q%20104.0%2047.7%2C%20103.8%2047.5%20Q%20103.6%2047.2%2C%20103.2%2047.2%20Q%20102.8%2047.2%2C%20102.6%2047.4%20Q%20102.3%2047.5%2C%20102.1%2047.9%20L%20101.6%2047.7%20%22%2F%3E%3Cpath%20class%3D%22atom-4%22%20d%3D%22M%2057.5%20103.6%20Q%2057.5%20101.9%2C%2058.4%20101.0%20Q%2059.2%20100.0%2C%2060.8%20100.0%20Q%2062.4%20100.0%2C%2063.2%20101.0%20Q%2064.0%20101.9%2C%2064.0%20103.6%20Q%2064.0%20105.4%2C%2063.2%20106.3%20Q%2062.3%20107.3%2C%2060.8%20107.3%20Q%2059.2%20107.3%2C%2058.4%20106.3%20Q%2057.5%20105.4%2C%2057.5%20103.6%20M%2060.8%20106.5%20Q%2061.9%20106.5%2C%2062.4%20105.8%20Q%2063.0%20105.1%2C%2063.0%20103.6%20Q%2063.0%20102.2%2C%2062.4%20101.5%20Q%2061.9%20100.8%2C%2060.8%20100.8%20Q%2059.7%20100.8%2C%2059.1%20101.5%20Q%2058.5%20102.2%2C%2058.5%20103.6%20Q%2058.5%20105.1%2C%2059.1%20105.8%20Q%2059.7%20106.5%2C%2060.8%20106.5%20%22%2F%3E%3Cpath%20class%3D%22atom-5%22%20d%3D%22M%20101.3%2089.4%20L%20103.7%2093.2%20Q%20103.9%2093.6%2C%20104.3%2094.2%20Q%20104.6%2094.9%2C%20104.7%2095.0%20L%20104.7%2089.4%20L%20105.6%2089.4%20L%20105.6%2096.5%20L%20104.6%2096.5%20L%20102.1%2092.4%20Q%20101.8%2091.9%2C%20101.5%2091.4%20Q%20101.2%2090.8%2C%20101.1%2090.7%20L%20101.1%2096.5%20L%20100.2%2096.5%20L%20100.2%2089.4%20L%20101.3%2089.4%20%22%2F%3E%3Cpath%20class%3D%22atom-5%22%20d%3D%22M%20107.0%2089.4%20L%20107.9%2089.4%20L%20107.9%2092.5%20L%20111.6%2092.5%20L%20111.6%2089.4%20L%20112.5%2089.4%20L%20112.5%2096.5%20L%20111.6%2096.5%20L%20111.6%2093.3%20L%20107.9%2093.3%20L%20107.9%2096.5%20L%20107.0%2096.5%20L%20107.0%2089.4%20%22%2F%3E%3Cpath%20class%3D%22atom-15%22%20d%3D%22M%2093.9%20159.1%20Q%2093.9%20157.4%2C%2094.8%20156.5%20Q%2095.6%20155.5%2C%2097.2%20155.5%20Q%2098.7%20155.5%2C%2099.6%20156.5%20Q%20100.4%20157.4%2C%20100.4%20159.1%20Q%20100.4%20160.8%2C%2099.6%20161.8%20Q%2098.7%20162.8%2C%2097.2%20162.8%20Q%2095.6%20162.8%2C%2094.8%20161.8%20Q%2093.9%20160.9%2C%2093.9%20159.1%20M%2097.2%20162.0%20Q%2098.3%20162.0%2C%2098.8%20161.3%20Q%2099.4%20160.5%2C%2099.4%20159.1%20Q%2099.4%20157.7%2C%2098.8%20157.0%20Q%2098.3%20156.3%2C%2097.2%20156.3%20Q%2096.1%20156.3%2C%2095.5%20157.0%20Q%2094.9%20157.7%2C%2094.9%20159.1%20Q%2094.9%20160.6%2C%2095.5%20161.3%20Q%2096.1%20162.0%2C%2097.2%20162.0%20%22%2F%3E%3Cpath%20class%3D%22atom-16%22%20d%3D%22M%2056.6%20124.4%20L%2057.6%20124.4%20L%2057.6%20127.4%20L%2061.2%20127.4%20L%2061.2%20124.4%20L%2062.2%20124.4%20L%2062.2%20131.5%20L%2061.2%20131.5%20L%2061.2%20128.2%20L%2057.6%20128.2%20L%2057.6%20131.5%20L%2056.6%20131.5%20L%2056.6%20124.4%20%22%2F%3E%3Cpath%20class%3D%22atom-16%22%20d%3D%22M%2063.7%20127.9%20Q%2063.7%20126.2%2C%2064.5%20125.3%20Q%2065.3%20124.3%2C%2066.9%20124.3%20Q%2068.5%20124.3%2C%2069.3%20125.3%20Q%2070.2%20126.2%2C%2070.2%20127.9%20Q%2070.2%20129.7%2C%2069.3%20130.7%20Q%2068.5%20131.6%2C%2066.9%20131.6%20Q%2065.3%20131.6%2C%2064.5%20130.7%20Q%2063.7%20129.7%2C%2063.7%20127.9%20M%2066.9%20130.8%20Q%2068.0%20130.8%2C%2068.6%20130.1%20Q%2069.2%20129.4%2C%2069.2%20127.9%20Q%2069.2%20126.6%2C%2068.6%20125.9%20Q%2068.0%20125.1%2C%2066.9%20125.1%20Q%2065.8%20125.1%2C%2065.2%20125.8%20Q%2064.7%20126.5%2C%2064.7%20127.9%20Q%2064.7%20129.4%2C%2065.2%20130.1%20Q%2065.8%20130.8%2C%2066.9%20130.8%20%22%2F%3E%3C%2Fg%3E%3C!--%20END%20OF%20HEADER%20--%3E%3C%2Fg%3E%3Cg%20class%3D%22overlay%22%3E%3Cg%20id%3D%22overlay_xeno_3182732486%22%2F%3E%3C%2Fg%3E%3Cscript%20type%3D%22application%2Fjson%22%3E%7B%26quot%3Bcoords%26quot%3B%3A%20%5B%5B48.5%2C%2055.0%5D%2C%20%5B72.6%2C%2061.8%5D%2C%20%5B90.6%2C%2044.4%5D%2C%20%5B78.8%2C%2086.1%5D%2C%20%5B60.8%2C%20103.6%5D%2C%20%5B102.9%2C%2093.0%5D%2C%20%5B109.0%2C%20117.3%5D%2C%20%5B133.2%2C%20124.2%5D%2C%20%5B151.2%2C%20106.7%5D%2C%20%5B145.0%2C%2082.4%5D%2C%20%5B163.0%2C%2064.9%5D%2C%20%5B187.1%2C%2071.8%5D%2C%20%5B193.3%2C%2096.1%5D%2C%20%5B175.3%2C%20113.5%5D%2C%20%5B91.0%2C%20134.8%5D%2C%20%5B97.2%2C%20159.1%5D%2C%20%5B66.9%2C%20127.9%5D%5D%2C%20%26quot%3Bscale%26quot%3B%3A%2020%7D%3C%2Fscript%3E%3C%2Fsvg%3E)
