Difference between revisions of "HOMO-CIS-ACONITATE"

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(Created page with "Category:metabolite == Metabolite 2-METHYLMALEATE == * common-name: ** citraconate * smiles: ** cc(=cc(=o)[o-])c(=o)[o-] * inchi-key: ** hnegqiomvppmnr-ihwypqmzsa-l * mole...")
(Created page with "Category:metabolite == Metabolite HOMO-CIS-ACONITATE == * common-name: ** cis-homoaconitate * smiles: ** c(=o)([o-])c=c(ccc([o-])=o)c(=o)[o-] * inchi-key: ** bjypzfuwwjsak...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 2-METHYLMALEATE ==
+
== Metabolite HOMO-CIS-ACONITATE ==
 
* common-name:
 
* common-name:
** citraconate
+
** cis-homoaconitate
 
* smiles:
 
* smiles:
** cc(=cc(=o)[o-])c(=o)[o-]
+
** c(=o)([o-])c=c(ccc([o-])=o)c(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** hnegqiomvppmnr-ihwypqmzsa-l
+
** bjypzfuwwjsakc-arjawskdsa-k
 
* molecular-weight:
 
* molecular-weight:
** 128.084
+
** 185.113
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[R-2-METHYLMALATE-DEHYDRATASE-RXN]]
+
* [[HOMOACONITATE-HYDRATASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[R-2-METHYLMALATE-DEHYDRATASE-RXN]]
+
* [[HOMOACONITATE-HYDRATASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=citraconate}}
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{{#set: common-name=cis-homoaconitate}}
{{#set: inchi-key=inchikey=hnegqiomvppmnr-ihwypqmzsa-l}}
+
{{#set: inchi-key=inchikey=bjypzfuwwjsakc-arjawskdsa-k}}
{{#set: molecular-weight=128.084}}
+
{{#set: molecular-weight=185.113}}

Latest revision as of 11:16, 18 March 2021

Metabolite HOMO-CIS-ACONITATE

  • common-name:
    • cis-homoaconitate
  • smiles:
    • c(=o)([o-])c=c(ccc([o-])=o)c(=o)[o-]
  • inchi-key:
    • bjypzfuwwjsakc-arjawskdsa-k
  • molecular-weight:
    • 185.113

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality