Difference between revisions of "CPD-8775"

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(Created page with "Category:reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-11820-STEARIC_ACID/HYDROGEN-PEROXIDE//R-2-HYDROXYSTEARATE/WATER.58. RXN-11820-STEARIC_ACID/HYDR...")
(Created page with "Category:metabolite == Metabolite CPD-8775 == * common-name: ** m-toluate * smiles: ** cc1(=cc(=cc=c1)c(=o)[o-]) * inchi-key: ** gpsduzxpycfosq-uhfffaoysa-m * molecular-we...")
 
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[[Category:reaction]]
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[[Category:metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-11820-STEARIC_ACID/HYDROGEN-PEROXIDE//R-2-HYDROXYSTEARATE/WATER.58. RXN-11820-STEARIC_ACID/HYDROGEN-PEROXIDE//R-2-HYDROXYSTEARATE/WATER.58.] ==
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== Metabolite CPD-8775 ==
* direction:
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* common-name:
** left-to-right
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** m-toluate
== Reaction formula ==
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* smiles:
* 1.0 [[HYDROGEN-PEROXIDE]][c] '''+''' 1.0 [[STEARIC_ACID]][c] '''=>''' 1.0 [[R-2-HYDROXYSTEARATE]][c] '''+''' 1.0 [[WATER]][c]
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** cc1(=cc(=cc=c1)c(=o)[o-])
== Gene(s) associated with this reaction  ==
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* inchi-key:
== Pathway(s) ==
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** gpsduzxpycfosq-uhfffaoysa-m
== Reconstruction information  ==
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* molecular-weight:
* category: [[gap-filling]]; source: [[gapfilling_solution_with_meneco_draft_medium]]; tool: [[meneco]]; comment: added for gapfilling
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** 135.142
== External links  ==
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== Reaction(s) known to consume the compound ==
{{#set: direction=left-to-right}}
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== Reaction(s) known to produce the compound ==
{{#set: nb gene associated=0}}
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* [[RXN-8583]]
{{#set: nb pathway associated=0}}
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== Reaction(s) of unknown directionality ==
{{#set: reconstruction category=gap-filling}}
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{{#set: common-name=m-toluate}}
{{#set: reconstruction tool=meneco}}
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{{#set: inchi-key=inchikey=gpsduzxpycfosq-uhfffaoysa-m}}
{{#set: reconstruction comment=added for gapfilling}}
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{{#set: molecular-weight=135.142}}
{{#set: reconstruction source=gapfilling_solution_with_meneco_draft_medium}}
 

Latest revision as of 11:15, 18 March 2021

Metabolite CPD-8775

  • common-name:
    • m-toluate
  • smiles:
    • cc1(=cc(=cc=c1)c(=o)[o-])
  • inchi-key:
    • gpsduzxpycfosq-uhfffaoysa-m
  • molecular-weight:
    • 135.142

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality