Substrate
/
Generation 1
XenoSite
Alanylethionine
CCSCCC(NC(=O)C(C)N)C(=O)O
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
*OC(=O)C(CCSCC)NC(=O)C(C)N |$GlcA;;;;;;;;;;;;;;;$|
Copy JSON
glucuronidation · 0.99
%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22197.4%22%20cy%3D%2286.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22176.3%22%20cy%3D%22131.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22162.0%22%20cy%3D%22110.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2283.8%22%20cy%3D%2274.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22122.9%22%20cy%3D%2292.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22232.9%22%20cy%3D%2261.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2258.9%22%20cy%3D%2276.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22193.7%22%20cy%3D%2243.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22172.6%22%20cy%3D%2288.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22137.2%22%20cy%3D%22113.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22165.7%22%20cy%3D%22153.9%22%20style%3D%22fill%3Argb(249%2C251%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2298.1%22%20cy%3D%2294.7%22%20style%3D%22fill%3Argb(249%2C251%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22211.7%22%20cy%3D%22106.6%22%20style%3D%22fill%3Argb(241%2C246%2C255)%22%2F%3E%3Ccircle%20r%3D%2218.0%22%20cx%3D%22201.2%22%20cy%3D%22129.2%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%2215.5%22%20cx%3D%22201.2%22%20cy%3D%22129.2%22%20style%3D%22fill%3Argb(0%2C200%2C36)%22%2F%3E%3Ccircle%20r%3D%2212.7%22%20cx%3D%22201.2%22%20cy%3D%22129.2%22%20style%3D%22fill%3Argb(197%2C204%2C0)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22201.2%22%20cy%3D%22129.2%22%20style%3D%22fill%3Argb(254%2C52%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_5b4363029a%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_5b4363029a%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_5b4363029a%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_5b4363029a%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m58.9%2076.4l24.9%20-2.1%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m83.8%2074.3l11.2%2016.1%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m101.2%2094.5l21.7%20-1.9%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m122.9%2092.6l14.3%2020.4%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m137.2%20113l24.8%20-2.1%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m162%20110.9l8.6%20-18.2%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m176.1%2088l21.3%20-1.8%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m195.3%2086.3l11.8%2017%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m198.4%2084.2l11.8%2016.9%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-7%20atom-9%22%20d%3D%22m197.4%2086.2l10.6%20-22.6%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-9%20atom-10%22%20d%3D%22m208%2063.6l24.9%20-2.2%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-9%20atom-11%22%20d%3D%22m208%2063.6l-11.2%20-16.1%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-5%20atom-12%22%20d%3D%22m162%20110.9l14.3%2020.4%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m175.1%20129.6l-9%2019.1%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m178.5%20131.1l-9%2019.2%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-12%20atom-14%22%20d%3D%22m176.3%20131.3l20.8%20-1.8%22%2F%3E%3Cpath%20d%3D%22m82.5%2074.4l1.3%20-0.1%20l0.6%200.8%22%2F%3E%3Cpath%20d%3D%22m121.8%2092.7l1.1%20-0.1%20l0.7%201%22%2F%3E%3Cpath%20d%3D%22m136.5%20112l0.7%201%20l1.2%20-0.1%22%2F%3E%3Cpath%20d%3D%22m196.4%2086.3l1%20-0.1%20l0.6%20-1.2%22%2F%3E%3Cpath%20d%3D%22m175.6%20130.3l0.7%201%20l1%20-0.1%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_5b4363029a%22%3E%3Cpath%20class%3D%22atom-2%22%20d%3D%22M%2096.1%2097.2%20Q%2096.2%2097.2%2C%2096.5%2097.3%20Q%2096.8%2097.5%2C%2097.2%2097.6%20Q%2097.5%2097.6%2C%2097.9%2097.6%20Q%2098.6%2097.6%2C%2099.0%2097.3%20Q%2099.3%2097.0%2C%2099.3%2096.4%20Q%2099.3%2096.0%2C%2099.1%2095.8%20Q%2099.0%2095.5%2C%2098.7%2095.4%20Q%2098.4%2095.3%2C%2097.9%2095.1%20Q%2097.2%2095.0%2C%2096.9%2094.8%20Q%2096.5%2094.6%2C%2096.2%2094.2%20Q%2096.0%2093.8%2C%2096.0%2093.2%20Q%2096.0%2092.3%2C%2096.6%2091.8%20Q%2097.2%2091.2%2C%2098.4%2091.2%20Q%2099.2%2091.2%2C%20100.1%2091.6%20L%2099.9%2092.4%20Q%2099.0%2092.0%2C%2098.4%2092.0%20Q%2097.7%2092.0%2C%2097.3%2092.3%20Q%2096.9%2092.6%2C%2097.0%2093.1%20Q%2097.0%2093.5%2C%2097.1%2093.7%20Q%2097.3%2093.9%2C%2097.6%2094.0%20Q%2097.9%2094.2%2C%2098.4%2094.3%20Q%2099.0%2094.5%2C%2099.4%2094.7%20Q%2099.8%2094.9%2C%20100.1%2095.3%20Q%20100.3%2095.7%2C%20100.3%2096.4%20Q%20100.3%2097.4%2C%2099.7%2097.9%20Q%2099.0%2098.4%2C%2097.9%2098.4%20Q%2097.3%2098.4%2C%2096.8%2098.3%20Q%2096.4%2098.2%2C%2095.8%2097.9%20L%2096.1%2097.2%20%22%2F%3E%3Cpath%20class%3D%22atom-6%22%20d%3D%22M%20163.0%2084.8%20L%20164.0%2084.8%20L%20164.0%2087.8%20L%20167.6%2087.8%20L%20167.6%2084.8%20L%20168.5%2084.8%20L%20168.5%2091.8%20L%20167.6%2091.8%20L%20167.6%2088.6%20L%20164.0%2088.6%20L%20164.0%2091.8%20L%20163.0%2091.8%20L%20163.0%2084.8%20%22%2F%3E%3Cpath%20class%3D%22atom-6%22%20d%3D%22M%20171.0%2084.8%20L%20173.4%2088.5%20Q%20173.6%2088.9%2C%20174.0%2089.6%20Q%20174.3%2090.2%2C%20174.3%2090.3%20L%20174.3%2084.8%20L%20175.3%2084.8%20L%20175.3%2091.8%20L%20174.3%2091.8%20L%20171.8%2087.7%20Q%20171.5%2087.3%2C%20171.2%2086.7%20Q%20170.9%2086.2%2C%20170.8%2086.0%20L%20170.8%2091.8%20L%20169.9%2091.8%20L%20169.9%2084.8%20L%20171.0%2084.8%20%22%2F%3E%3Cpath%20class%3D%22atom-8%22%20d%3D%22M%20208.5%20106.6%20Q%20208.5%20104.9%2C%20209.3%20104.0%20Q%20210.2%20103.0%2C%20211.7%20103.0%20Q%20213.3%20103.0%2C%20214.1%20104.0%20Q%20215.0%20104.9%2C%20215.0%20106.6%20Q%20215.0%20108.3%2C%20214.1%20109.3%20Q%20213.3%20110.3%2C%20211.7%20110.3%20Q%20210.2%20110.3%2C%20209.3%20109.3%20Q%20208.5%20108.3%2C%20208.5%20106.6%20M%20211.7%20109.5%20Q%20212.8%20109.5%2C%20213.4%20108.8%20Q%20214.0%20108.0%2C%20214.0%20106.6%20Q%20214.0%20105.2%2C%20213.4%20104.5%20Q%20212.8%20103.8%2C%20211.7%20103.8%20Q%20210.6%20103.8%2C%20210.1%20104.5%20Q%20209.5%20105.2%2C%20209.5%20106.6%20Q%20209.5%20108.1%2C%20210.1%20108.8%20Q%20210.6%20109.5%2C%20211.7%20109.5%20%22%2F%3E%3Cpath%20class%3D%22atom-11%22%20d%3D%22M%20180.1%2039.6%20L%20181.1%2039.6%20L%20181.1%2042.6%20L%20184.7%2042.6%20L%20184.7%2039.6%20L%20185.6%2039.6%20L%20185.6%2046.7%20L%20184.7%2046.7%20L%20184.7%2043.4%20L%20181.1%2043.4%20L%20181.1%2046.7%20L%20180.1%2046.7%20L%20180.1%2039.6%20%22%2F%3E%3Cpath%20class%3D%22atom-11%22%20d%3D%22M%20187.0%2046.4%20Q%20187.2%2046.0%2C%20187.6%2045.7%20Q%20188.0%2045.5%2C%20188.6%2045.5%20Q%20189.3%2045.5%2C%20189.7%2045.9%20Q%20190.1%2046.2%2C%20190.1%2046.9%20Q%20190.1%2047.6%2C%20189.5%2048.3%20Q%20189.0%2048.9%2C%20188.0%2049.7%20L%20190.1%2049.7%20L%20190.1%2050.2%20L%20187.0%2050.2%20L%20187.0%2049.8%20Q%20187.9%2049.1%2C%20188.4%2048.7%20Q%20188.9%2048.2%2C%20189.1%2047.8%20Q%20189.4%2047.4%2C%20189.4%2047.0%20Q%20189.4%2046.5%2C%20189.2%2046.3%20Q%20189.0%2046.0%2C%20188.6%2046.0%20Q%20188.2%2046.0%2C%20187.9%2046.2%20Q%20187.7%2046.3%2C%20187.5%2046.6%20L%20187.0%2046.4%20%22%2F%3E%3Cpath%20class%3D%22atom-11%22%20d%3D%22M%20192.2%2039.6%20L%20194.5%2043.3%20Q%20194.7%2043.7%2C%20195.1%2044.4%20Q%20195.5%2045.0%2C%20195.5%2045.1%20L%20195.5%2039.6%20L%20196.4%2039.6%20L%20196.4%2046.7%20L%20195.4%2046.7%20L%20193.0%2042.6%20Q%20192.7%2042.1%2C%20192.4%2041.5%20Q%20192.1%2041.0%2C%20192.0%2040.8%20L%20192.0%2046.7%20L%20191.1%2046.7%20L%20191.1%2039.6%20L%20192.2%2039.6%20%22%2F%3E%3Cpath%20class%3D%22atom-13%22%20d%3D%22M%20162.5%20153.9%20Q%20162.5%20152.2%2C%20163.3%20151.3%20Q%20164.2%20150.3%2C%20165.7%20150.3%20Q%20167.3%20150.3%2C%20168.1%20151.3%20Q%20169.0%20152.2%2C%20169.0%20153.9%20Q%20169.0%20155.7%2C%20168.1%20156.6%20Q%20167.3%20157.6%2C%20165.7%20157.6%20Q%20164.2%20157.6%2C%20163.3%20156.6%20Q%20162.5%20155.7%2C%20162.5%20153.9%20M%20165.7%20156.8%20Q%20166.8%20156.8%2C%20167.4%20156.1%20Q%20168.0%20155.4%2C%20168.0%20153.9%20Q%20168.0%20152.6%2C%20167.4%20151.9%20Q%20166.8%20151.1%2C%20165.7%20151.1%20Q%20164.7%20151.1%2C%20164.1%20151.8%20Q%20163.5%20152.5%2C%20163.5%20153.9%20Q%20163.5%20155.4%2C%20164.1%20156.1%20Q%20164.7%20156.8%2C%20165.7%20156.8%20%22%2F%3E%3Cpath%20class%3D%22atom-14%22%20d%3D%22M%20197.9%20129.2%20Q%20197.9%20127.5%2C%20198.8%20126.6%20Q%20199.6%20125.6%2C%20201.2%20125.6%20Q%20202.7%20125.6%2C%20203.6%20126.6%20Q%20204.4%20127.5%2C%20204.4%20129.2%20Q%20204.4%20130.9%2C%20203.5%20131.9%20Q%20202.7%20132.9%2C%20201.2%20132.9%20Q%20199.6%20132.9%2C%20198.8%20131.9%20Q%20197.9%20130.9%2C%20197.9%20129.2%20M%20201.2%20132.1%20Q%20202.2%20132.1%2C%20202.8%20131.4%20Q%20203.4%20130.6%2C%20203.4%20129.2%20Q%20203.4%20127.8%2C%20202.8%20127.1%20Q%20202.2%20126.4%2C%20201.2%20126.4%20Q%20200.1%20126.4%2C%20199.5%20127.1%20Q%20198.9%20127.8%2C%20198.9%20129.2%20Q%20198.9%20130.6%2C%20199.5%20131.4%20Q%20200.1%20132.1%2C%20201.2%20132.1%20%22%2F%3E%3Cpath%20class%3D%22atom-14%22%20d%3D%22M%20205.5%20125.7%20L%20206.5%20125.7%20L%20206.5%20128.7%20L%20210.1%20128.7%20L%20210.1%20125.7%20L%20211.0%20125.7%20L%20211.0%20132.8%20L%20210.1%20132.8%20L%20210.1%20129.5%20L%20206.5%20129.5%20L%20206.5%20132.8%20L%20205.5%20132.8%20L%20205.5%20125.7%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_5b4363029a%22%2F%3E%3C%2Fg%3E%3Cscript%20type%3D%22application%2Fjson%22%3E%7B%26quot%3Bcoords%26quot%3B%3A%20%5B%5B58.9%2C%2076.4%5D%2C%20%5B83.8%2C%2074.3%5D%2C%20%5B98.1%2C%2094.7%5D%2C%20%5B122.9%2C%2092.6%5D%2C%20%5B137.2%2C%20113.0%5D%2C%20%5B162.0%2C%20110.9%5D%2C%20%5B172.6%2C%2088.3%5D%2C%20%5B197.4%2C%2086.2%5D%2C%20%5B211.7%2C%20106.6%5D%2C%20%5B208.0%2C%2063.6%5D%2C%20%5B232.9%2C%2061.4%5D%2C%20%5B193.7%2C%2043.1%5D%2C%20%5B176.3%2C%20131.3%5D%2C%20%5B165.7%2C%20153.9%5D%2C%20%5B201.2%2C%20129.2%5D%5D%2C%20%26quot%3Bscale%26quot%3B%3A%2020%7D%3C%2Fscript%3E%3C%2Fsvg%3E)
%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}