Difference between revisions of "RXN-9626"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CIS-ACONITATE CIS-ACONITATE] == * smiles: ** C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-] * inchi key: *...")
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9626 RXN-9626] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/3....")
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[[Category:Metabolite]]
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[[Category:Reaction]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CIS-ACONITATE CIS-ACONITATE] ==
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9626 RXN-9626] ==
* smiles:
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* direction:
** C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-]
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** LEFT-TO-RIGHT
* inchi key:
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* ec number:
** InChIKey=GTZCVFVGUGFEME-IWQZZHSRSA-K
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** [http://enzyme.expasy.org/EC/3.1.2.2 EC-3.1.2.2]
* common name:
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** cis-aconitate
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* molecular weight:
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** 171.086   
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* Synonym(s):
 
* Synonym(s):
** (Z)-prop-1-ene-1,2,3-tricarboxylate
 
** cis-aconitic acid
 
  
== Reaction(s) known to consume the compound ==
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== Reaction Formula ==
== Reaction(s) known to produce the compound ==
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* With identifiers:
== Reaction(s) of unknown directionality ==
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** 1 [[WATER]][c] '''+''' 1 [[TETRADECANOYL-COA]][c] '''=>''' 1 [[CPD-7836]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[CO-A]][c]
* [[ACONITATEHYDR-RXN]]
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* With common name(s):
* [[ACONITATEDEHYDR-RXN]]
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** 1 H2O[c] '''+''' 1 myristoyl-CoA[c] '''=>''' 1 myristate[c] '''+''' 1 H+[c] '''+''' 1 coenzyme A[c]
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== Genes associated with this reaction  ==
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== Pathways  ==
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== Reconstruction information  ==
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* Category: [[gap-filling]]
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** Source: [[gap-filling-gapfilling_solution_with_meneco_draft_medium]]
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*** Tool: [[meneco]]
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**** Comment: [[added for gapfilling]]
 
== External links  ==
 
== External links  ==
* CAS : 585-84-2
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{{#set: direction=LEFT-TO-RIGHT}}
* METABOLIGHTS : MTBLC16383
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{{#set: ec number=EC-3.1.2.2}}
* PUBCHEM:
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{{#set: in pathway=}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459816 5459816]
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{{#set: reconstruction category=gap-filling}}
* KNAPSACK : C00001177
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{{#set: reconstruction source=gap-filling-gapfilling_solution_with_meneco_draft_medium}}
* HMDB : HMDB00072
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{{#set: reconstruction tool=meneco}}
* LIGAND-CPD:
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{{#set: reconstruction comment=added for gapfilling}}
** [http://www.genome.jp/dbget-bin/www_bget?C00417 C00417]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4573582.html 4573582]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16383 16383]
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* BIGG : acon_C
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{{#set: smiles=C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-]}}
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{{#set: inchi key=InChIKey=GTZCVFVGUGFEME-IWQZZHSRSA-K}}
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{{#set: common name=cis-aconitate}}
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{{#set: molecular weight=171.086    }}
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{{#set: common name=(Z)-prop-1-ene-1,2,3-tricarboxylate|cis-aconitic acid}}
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{{#set: consumed or produced by=ACONITATEHYDR-RXN|ACONITATEDEHYDR-RXN}}
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Revision as of 16:09, 23 May 2018

Reaction RXN-9626

  • direction:
    • LEFT-TO-RIGHT
  • ec number:
  • Synonym(s):

Reaction Formula

Genes associated with this reaction

Pathways

Reconstruction information

External links