Difference between revisions of "CPD-8083"

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(Created page with "Category:metabolite == Metabolite SS-DIMETHYL-BETA-PROPIOTHETIN == * common-name: ** dimethylsulfoniopropanoate * smiles: ** c[s+](c)ccc(=o)[o-] * inchi-key: ** dfpoztrsoa...")
(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...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite SS-DIMETHYL-BETA-PROPIOTHETIN ==
+
== Metabolite 2-METHYLMALEATE ==
 
* common-name:
 
* common-name:
** dimethylsulfoniopropanoate
+
** citraconate
 
* smiles:
 
* smiles:
** c[s+](c)ccc(=o)[o-]
+
** cc(=cc(=o)[o-])c(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** dfpoztrsoaqfik-uhfffaoysa-n
+
** hnegqiomvppmnr-ihwypqmzsa-l
 
* molecular-weight:
 
* molecular-weight:
** 134.193
+
** 128.084
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[R-2-METHYLMALATE-DEHYDRATASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-9758]]
+
* [[R-2-METHYLMALATE-DEHYDRATASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=dimethylsulfoniopropanoate}}
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{{#set: common-name=citraconate}}
{{#set: inchi-key=inchikey=dfpoztrsoaqfik-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=hnegqiomvppmnr-ihwypqmzsa-l}}
{{#set: molecular-weight=134.193}}
+
{{#set: molecular-weight=128.084}}

Revision as of 14:58, 5 January 2021

Metabolite 2-METHYLMALEATE

  • common-name:
    • citraconate
  • smiles:
    • cc(=cc(=o)[o-])c(=o)[o-]
  • inchi-key:
    • hnegqiomvppmnr-ihwypqmzsa-l
  • molecular-weight:
    • 128.084

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality