Difference between revisions of "CPD-19492"

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(Created page with "Category:metabolite == Metabolite CPD-85 == * common-name: ** 1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one * smiles: ** csccc(c([o-])=co)=o * inchi-key: ** cilxjjlqptuu...")
(Created page with "Category:metabolite == Metabolite CPD-19492 == * common-name: ** 3-ethyl-2-oxosuccinate * smiles: ** ccc(c([o-])=o)c(c(=o)[o-])=o * inchi-key: ** ouglpihdpbrsid-uhfffaoysa...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-85 ==
+
== Metabolite CPD-19492 ==
 
* common-name:
 
* common-name:
** 1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one
+
** 3-ethyl-2-oxosuccinate
 
* smiles:
 
* smiles:
** csccc(c([o-])=co)=o
+
** ccc(c([o-])=o)c(c(=o)[o-])=o
 
* inchi-key:
 
* inchi-key:
** cilxjjlqptuuss-xqrvvysfsa-m
+
** ouglpihdpbrsid-uhfffaoysa-l
 
* molecular-weight:
 
* molecular-weight:
** 161.195
+
** 158.11
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[R147-RXN]]
+
* [[RXN-18210]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-18210]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one}}
+
{{#set: common-name=3-ethyl-2-oxosuccinate}}
{{#set: inchi-key=inchikey=cilxjjlqptuuss-xqrvvysfsa-m}}
+
{{#set: inchi-key=inchikey=ouglpihdpbrsid-uhfffaoysa-l}}
{{#set: molecular-weight=161.195}}
+
{{#set: molecular-weight=158.11}}

Latest revision as of 11:17, 18 March 2021

Metabolite CPD-19492

  • common-name:
    • 3-ethyl-2-oxosuccinate
  • smiles:
    • ccc(c([o-])=o)c(c(=o)[o-])=o
  • inchi-key:
    • ouglpihdpbrsid-uhfffaoysa-l
  • molecular-weight:
    • 158.11

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality