Difference between revisions of "Gap-filling"

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(Created page with "Category:metabolite == Metabolite CARNITINE == * common-name: ** l-carnitine * smiles: ** c(c(o)cc(=o)[o-])[n+](c)(c)c * inchi-key: ** phiqhxfuzvpyii-zcfiwibfsa-n * molecu...")
(Created page with "Category:metabolite == Metabolite CPD-12116 == * common-name: ** demethylmenaquinol-6 * smiles: ** cc(=cccc(c)=cccc(c)=cccc(c)=cccc(c)=cccc(c)=ccc1(c=c(o)c2(c=cc=cc(c(o)=1...")
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CARNITINE ==
+
== Metabolite CPD-12116 ==
 
* common-name:
 
* common-name:
** l-carnitine
+
** demethylmenaquinol-6
 
* smiles:
 
* smiles:
** c(c(o)cc(=o)[o-])[n+](c)(c)c
+
** cc(=cccc(c)=cccc(c)=cccc(c)=cccc(c)=cccc(c)=ccc1(c=c(o)c2(c=cc=cc(c(o)=1)=2)))c
 
* inchi-key:
 
* inchi-key:
** phiqhxfuzvpyii-zcfiwibfsa-n
+
** ufaxpzazhzpelj-rotsudqpsa-n
 
* molecular-weight:
 
* molecular-weight:
** 161.2
+
** 568.881
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[CARNITINE-O-ACETYLTRANSFERASE-RXN]]
+
* [[RXN-9220]]
* [[CARNITINE-O-PALMITOYLTRANSFERASE-RXN]]
 
* [[RXN-9918]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[1.14.11.1-RXN]]
 
* [[CARNITINE-O-ACETYLTRANSFERASE-RXN]]
 
* [[CARNITINE-O-PALMITOYLTRANSFERASE-RXN]]
 
* [[RXN-9918]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=l-carnitine}}
+
{{#set: common-name=demethylmenaquinol-6}}
{{#set: inchi-key=inchikey=phiqhxfuzvpyii-zcfiwibfsa-n}}
+
{{#set: inchi-key=inchikey=ufaxpzazhzpelj-rotsudqpsa-n}}
{{#set: molecular-weight=161.2}}
+
{{#set: molecular-weight=568.881}}

Revision as of 13:13, 14 January 2021

Metabolite CPD-12116

  • common-name:
    • demethylmenaquinol-6
  • smiles:
    • cc(=cccc(c)=cccc(c)=cccc(c)=cccc(c)=cccc(c)=ccc1(c=c(o)c2(c=cc=cc(c(o)=1)=2)))c
  • inchi-key:
    • ufaxpzazhzpelj-rotsudqpsa-n
  • molecular-weight:
    • 568.881

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality