Difference between revisions of "CPD-14275"

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(Created page with "Category:metabolite == Metabolite CPD-7880 == * common-name: ** dodecanal * smiles: ** ccccccccccc[ch]=o * inchi-key: ** hfjrkmmybmwead-uhfffaoysa-n * molecular-weight: **...")
(Created page with "Category:metabolite == Metabolite S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE == * common-name: ** s-adenosyl-4-methylthio-2-oxobutanoate * smiles: ** c[s+](ccc(c([o-])=o)=o)cc...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-7880 ==
+
== Metabolite S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE ==
 
* common-name:
 
* common-name:
** dodecanal
+
** s-adenosyl-4-methylthio-2-oxobutanoate
 
* smiles:
 
* smiles:
** ccccccccccc[ch]=o
+
** c[s+](ccc(c([o-])=o)=o)cc1(oc(c(c1o)o)n3(c2(=nc=nc(=c2n=c3)n)))
 
* inchi-key:
 
* inchi-key:
** hfjrkmmybmwead-uhfffaoysa-n
+
** uokvqqmbgvmxpu-cjpdyehrsa-n
 
* molecular-weight:
 
* molecular-weight:
** 184.321
+
** 397.405
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-16654]]
+
* [[DAPASYN-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[DAPASYN-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=dodecanal}}
+
{{#set: common-name=s-adenosyl-4-methylthio-2-oxobutanoate}}
{{#set: inchi-key=inchikey=hfjrkmmybmwead-uhfffaoysa-n}}
+
{{#set: inchi-key=inchikey=uokvqqmbgvmxpu-cjpdyehrsa-n}}
{{#set: molecular-weight=184.321}}
+
{{#set: molecular-weight=397.405}}

Revision as of 18:54, 14 January 2021

Metabolite S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE

  • common-name:
    • s-adenosyl-4-methylthio-2-oxobutanoate
  • smiles:
    • c[s+](ccc(c([o-])=o)=o)cc1(oc(c(c1o)o)n3(c2(=nc=nc(=c2n=c3)n)))
  • inchi-key:
    • uokvqqmbgvmxpu-cjpdyehrsa-n
  • molecular-weight:
    • 397.405

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality