Difference between revisions of "CPD-396"

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(Created page with "Category:metabolite == Metabolite CIT == * common-name: ** citrate * smiles: ** c(=o)([o-])cc(c(=o)[o-])(o)cc(=o)[o-] * inchi-key: ** krknybchxyngox-uhfffaoysa-k * molecul...")
(Created page with "Category:metabolite == Metabolite CPD-396 == * common-name: ** 1-methylnicotinamide * smiles: ** c[n+]1(=cc=cc(=c1)c(=o)n) * inchi-key: ** ldhmavipbrsvrg-uhfffaoysa-o * mo...")
 
(3 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CIT ==
+
== Metabolite CPD-396 ==
 
* common-name:
 
* common-name:
** citrate
+
** 1-methylnicotinamide
 
* smiles:
 
* smiles:
** c(=o)([o-])cc(c(=o)[o-])(o)cc(=o)[o-]
+
** c[n+]1(=cc=cc(=c1)c(=o)n)
 
* inchi-key:
 
* inchi-key:
** krknybchxyngox-uhfffaoysa-k
+
** ldhmavipbrsvrg-uhfffaoysa-o
 
* molecular-weight:
 
* molecular-weight:
** 189.101
+
** 137.161
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ACONITATEDEHYDR-RXN]]
 
* [[AKGCITtm]]
 
* [[ATP-CITRATE-PRO-S--LYASE-RXN]]
 
* [[ATPCL]]
 
* [[OAACITtm]]
 
* [[RXN-14047]]
 
* [[biomass_rxn]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[ACONITATEDEHYDR-RXN]]
+
* [[NICOTINAMIDE-N-METHYLTRANSFERASE-RXN]]
* [[AKGCITtm]]
 
* [[CITSYN-RXN]]
 
* [[CSm]]
 
* [[OAACITtm]]
 
* [[RXN-14047]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=citrate}}
+
{{#set: common-name=1-methylnicotinamide}}
{{#set: inchi-key=inchikey=krknybchxyngox-uhfffaoysa-k}}
+
{{#set: inchi-key=inchikey=ldhmavipbrsvrg-uhfffaoysa-o}}
{{#set: molecular-weight=189.101}}
+
{{#set: molecular-weight=137.161}}

Latest revision as of 11:11, 18 March 2021

Metabolite CPD-396

  • common-name:
    • 1-methylnicotinamide
  • smiles:
    • c[n+]1(=cc=cc(=c1)c(=o)n)
  • inchi-key:
    • ldhmavipbrsvrg-uhfffaoysa-o
  • molecular-weight:
    • 137.161

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality