Difference between revisions of "CPD-2747"

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(Created page with "Category:metabolite == Metabolite HOMO-CIT == * common-name: ** (2r)-homocitrate * smiles: ** c(c([o-])=o)cc(o)(c([o-])=o)cc([o-])=o * inchi-key: ** xkjvevrqmlksmo-ssdotts...")
(Created page with "Category:metabolite == Metabolite CPD-2747 == * common-name: ** cotinine-glucuronide * smiles: ** c1(=o)(cc[ch](n(c)1)c3(c=[n+](c2(c(c(c(c(o2)c([o-])=o)o)o)o))c=cc=3)) * i...")
 
(2 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite HOMO-CIT ==
+
== Metabolite CPD-2747 ==
 
* common-name:
 
* common-name:
** (2r)-homocitrate
+
** cotinine-glucuronide
 
* smiles:
 
* smiles:
** c(c([o-])=o)cc(o)(c([o-])=o)cc([o-])=o
+
** c1(=o)(cc[ch](n(c)1)c3(c=[n+](c2(c(c(c(c(o2)c([o-])=o)o)o)o))c=cc=3))
 
* inchi-key:
 
* inchi-key:
** xkjvevrqmlksmo-ssdottswsa-k
+
** xwzczwkugiqpjd-cvrqrifosa-n
 
* molecular-weight:
 
* molecular-weight:
** 203.128
+
** 352.343
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13722]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-13722]]
+
* [[RXN66-168]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(2r)-homocitrate}}
+
{{#set: common-name=cotinine-glucuronide}}
{{#set: inchi-key=inchikey=xkjvevrqmlksmo-ssdottswsa-k}}
+
{{#set: inchi-key=inchikey=xwzczwkugiqpjd-cvrqrifosa-n}}
{{#set: molecular-weight=203.128}}
+
{{#set: molecular-weight=352.343}}

Latest revision as of 11:15, 18 March 2021

Metabolite CPD-2747

  • common-name:
    • cotinine-glucuronide
  • smiles:
    • c1(=o)(cc[ch](n(c)1)c3(c=[n+](c2(c(c(c(c(o2)c([o-])=o)o)o)o))c=cc=3))
  • inchi-key:
    • xwzczwkugiqpjd-cvrqrifosa-n
  • molecular-weight:
    • 352.343

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality