Difference between revisions of "CPD-16954"

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(Created page with "Category:metabolite == Metabolite CPD-11411 == * common-name: ** tetraiodothyroacetate ester glucuronide * smiles: ** c(oc1(c(o)c(o)c(o)c(c(=o)[o-])o1))(=o)cc2(=cc(i)=c(c(...")
(Created page with "Category:metabolite == Metabolite UROCANATE == * common-name: ** urocanate * smiles: ** c1(nc=nc=1c=cc([o-])=o) * inchi-key: ** loiymiarkyctbw-owojbtedsa-m * molecular-wei...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-11411 ==
+
== Metabolite UROCANATE ==
 
* common-name:
 
* common-name:
** tetraiodothyroacetate ester glucuronide
+
** urocanate
 
* smiles:
 
* smiles:
** c(oc1(c(o)c(o)c(o)c(c(=o)[o-])o1))(=o)cc2(=cc(i)=c(c(i)=c2)oc3(c=c(i)c(o)=c(i)c=3))
+
** c1(nc=nc=1c=cc([o-])=o)
 
* inchi-key:
 
* inchi-key:
** xzmjvzbexskssm-kfyubchvsa-m
+
** loiymiarkyctbw-owojbtedsa-m
 
* molecular-weight:
 
* molecular-weight:
** 922.95
+
** 137.118
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-10617]]
+
* [[HISTIDINE-AMMONIA-LYASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=tetraiodothyroacetate ester glucuronide}}
+
{{#set: common-name=urocanate}}
{{#set: inchi-key=inchikey=xzmjvzbexskssm-kfyubchvsa-m}}
+
{{#set: inchi-key=inchikey=loiymiarkyctbw-owojbtedsa-m}}
{{#set: molecular-weight=922.95}}
+
{{#set: molecular-weight=137.118}}

Revision as of 14:58, 5 January 2021

Metabolite UROCANATE

  • common-name:
    • urocanate
  • smiles:
    • c1(nc=nc=1c=cc([o-])=o)
  • inchi-key:
    • loiymiarkyctbw-owojbtedsa-m
  • molecular-weight:
    • 137.118

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality