Difference between revisions of "CPD-676"

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(Created page with "Category:metabolite == Metabolite CPD0-903 == * common-name: ** n-ethylsuccinimide * smiles: ** ccn1(c(ccc1=o)=o) * inchi-key: ** ghazcvnukkztlg-uhfffaoysa-n * molecular-w...")
(Created page with "Category:metabolite == Metabolite CPD-676 == * common-name: ** trans-caffeate * smiles: ** c([o-])(=o)c=cc1(c=c(o)c(o)=cc=1) * inchi-key: ** qaiprvgongvqas-duxpyhpusa-m *...")
 
(4 intermediate revisions by 3 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD0-903 ==
+
== Metabolite CPD-676 ==
 
* common-name:
 
* common-name:
** n-ethylsuccinimide
+
** trans-caffeate
 
* smiles:
 
* smiles:
** ccn1(c(ccc1=o)=o)
+
** c([o-])(=o)c=cc1(c=c(o)c(o)=cc=1)
 
* inchi-key:
 
* inchi-key:
** ghazcvnukkztlg-uhfffaoysa-n
+
** qaiprvgongvqas-duxpyhpusa-m
 
* molecular-weight:
 
* molecular-weight:
** 127.143
+
** 179.152
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-1104]]
 +
* [[RXN-1126]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN0-5101]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=n-ethylsuccinimide}}
+
{{#set: common-name=trans-caffeate}}
{{#set: inchi-key=inchikey=ghazcvnukkztlg-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=qaiprvgongvqas-duxpyhpusa-m}}
{{#set: molecular-weight=127.143}}
+
{{#set: molecular-weight=179.152}}

Latest revision as of 11:17, 18 March 2021

Metabolite CPD-676

  • common-name:
    • trans-caffeate
  • smiles:
    • c([o-])(=o)c=cc1(c=c(o)c(o)=cc=1)
  • inchi-key:
    • qaiprvgongvqas-duxpyhpusa-m
  • molecular-weight:
    • 179.152

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality