Difference between revisions of "BENZOATE"

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(Created page with "Category:reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=TRANS-2-ENOYL-COA-REDUCTASE-NAD+-RXN-CPD-10279/NAD//CPD-14281/NADH/PROTON.37. TRANS-2-ENOYL-COA-RED...")
(Created page with "Category:metabolite == Metabolite BENZOATE == * common-name: ** benzoate * smiles: ** c(c1(c=cc=cc=1))([o-])=o * inchi-key: ** wpymklbdigxbtp-uhfffaoysa-m * molecular-weig...")
 
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[[Category:reaction]]
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[[Category:metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=TRANS-2-ENOYL-COA-REDUCTASE-NAD+-RXN-CPD-10279/NAD//CPD-14281/NADH/PROTON.37. TRANS-2-ENOYL-COA-REDUCTASE-NAD+-RXN-CPD-10279/NAD//CPD-14281/NADH/PROTON.37.] ==
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== Metabolite BENZOATE ==
* direction:
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* common-name:
** left-to-right
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** benzoate
== Reaction formula ==
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* smiles:
* 1.0 [[CPD-14281]][c] '''+''' 1.0 [[NADH]][c] '''+''' 1.0 [[PROTON]][c] '''=>''' 1.0 [[CPD-10279]][c] '''+''' 1.0 [[NAD]][c]
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** c(c1(c=cc=cc=1))([o-])=o
== Gene(s) associated with this reaction  ==
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* inchi-key:
== Pathway(s)  ==
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** wpymklbdigxbtp-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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** 121.115
== External links  ==
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== Reaction(s) known to consume the compound ==
{{#set: direction=left-to-right}}
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* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
{{#set: nb gene associated=0}}
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== Reaction(s) known to produce the compound ==
{{#set: nb pathway associated=0}}
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* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
{{#set: reconstruction category=gap-filling}}
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== Reaction(s) of unknown directionality ==
{{#set: reconstruction tool=meneco}}
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{{#set: common-name=benzoate}}
{{#set: reconstruction comment=added for gapfilling}}
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{{#set: inchi-key=inchikey=wpymklbdigxbtp-uhfffaoysa-m}}
{{#set: reconstruction source=gapfilling_solution_with_meneco_draft_medium}}
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{{#set: molecular-weight=121.115}}

Latest revision as of 11:17, 18 March 2021

Metabolite BENZOATE

  • common-name:
    • benzoate
  • smiles:
    • c(c1(c=cc=cc=1))([o-])=o
  • inchi-key:
    • wpymklbdigxbtp-uhfffaoysa-m
  • molecular-weight:
    • 121.115

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality