Difference between revisions of "CIS-ACONITATE"

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(Created page with "Category:metabolite == Metabolite FECOSTEROL == * common-name: ** fecosterol * smiles: ** cc(c)c(=c)ccc(c)[ch]3(cc[ch]4(c2(cc[ch]1(cc(o)ccc(c)1c=2ccc(c)34)))) * inchi-key:...")
(Created page with "Category:metabolite == Metabolite CIS-ACONITATE == * common-name: ** cis-aconitate * smiles: ** c([o-])(=o)c(=cc(=o)[o-])cc(=o)[o-] * inchi-key: ** gtzcvfvgugfeme-iwqzzhsr...")
 
(3 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite FECOSTEROL ==
+
== Metabolite CIS-ACONITATE ==
 
* common-name:
 
* common-name:
** fecosterol
+
** cis-aconitate
 
* smiles:
 
* smiles:
** cc(c)c(=c)ccc(c)[ch]3(cc[ch]4(c2(cc[ch]1(cc(o)ccc(c)1c=2ccc(c)34))))
+
** c([o-])(=o)c(=cc(=o)[o-])cc(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** slqkysphbzmasj-qkporzecsa-n
+
** gtzcvfvgugfeme-iwqzzhsrsa-k
 
* molecular-weight:
 
* molecular-weight:
** 398.671
+
** 171.086
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN3O-203]]
+
* [[ACONITATEDEHYDR-RXN]]
 +
* [[ACONITATEHYDR-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN3O-178]]
+
* [[ACONITATEDEHYDR-RXN]]
 +
* [[ACONITATEHYDR-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=fecosterol}}
+
{{#set: common-name=cis-aconitate}}
{{#set: inchi-key=inchikey=slqkysphbzmasj-qkporzecsa-n}}
+
{{#set: inchi-key=inchikey=gtzcvfvgugfeme-iwqzzhsrsa-k}}
{{#set: molecular-weight=398.671}}
+
{{#set: molecular-weight=171.086}}

Latest revision as of 11:12, 18 March 2021

Metabolite CIS-ACONITATE

  • common-name:
    • cis-aconitate
  • smiles:
    • c([o-])(=o)c(=cc(=o)[o-])cc(=o)[o-]
  • inchi-key:
    • gtzcvfvgugfeme-iwqzzhsrsa-k
  • molecular-weight:
    • 171.086

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality