Difference between revisions of "HOMO-CIS-ACONITATE"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-1744 RXN-1744] == * direction: ** REVERSIBLE * Synonym(s): == Reaction Formula == * With ident...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-CIS-ACONITATE HOMO-CIS-ACONITATE] == * smiles: ** C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-] * i...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-1744 RXN-1744] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-CIS-ACONITATE HOMO-CIS-ACONITATE] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-]
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* inchi key:
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** InChIKey=BJYPZFUWWJSAKC-ARJAWSKDSA-K
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* common name:
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** cis-homoaconitate
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* molecular weight:
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** 185.113   
 
* Synonym(s):
 
* Synonym(s):
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** 3-carboxyhex-2-enedioate
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** (Z)-but-1-ene-1,2,4-tricarboxylate
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** homo-cis-aconitate
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** (Z)-1,2,4-but-1-enetricarboxylic acid
  
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== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
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* With identifiers:
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* [[HOMOACONITATE-HYDRATASE-RXN]]
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** 1 [[PROTON]][c] '''+''' 6 [[GLYCOLLATE]][c] '''<=>''' 4 [[WATER]][c] '''+''' 1 [[ACET]][c] '''+''' 2 [[CARBON-DIOXIDE]][c] '''+''' 2 [[SUC]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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* [[RXN3O-1983]]
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** 1 H+[c] '''+''' 6 glycolate[c] '''<=>''' 4 H2O[c] '''+''' 1 acetate[c] '''+''' 2 CO2[c] '''+''' 2 succinate[c]
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== Reaction(s) of unknown directionality ==
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[PWY-804]], glycolate degradation II: [http://metacyc.org/META/NEW-IMAGE?object=PWY-804 PWY-804]
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** '''1''' reactions found over '''1''' reactions in the full pathway
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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]]
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== External links  ==
 
== External links  ==
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{{#set: direction=REVERSIBLE}}
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* PUBCHEM:
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{{#set: in pathway=PWY-804}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21158450 21158450]
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{{#set: reconstruction category=gap-filling}}
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* CHEMSPIDER:
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{{#set: reconstruction source=gap-filling-gapfilling_solution_with_meneco_draft_medium}}
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** [http://www.chemspider.com/Chemical-Structure.20117984.html 20117984]
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{{#set: reconstruction tool=meneco}}
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* CHEBI:
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{{#set: reconstruction comment=added for gapfilling}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58174 58174]
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C04002 C04002]
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{{#set: smiles=C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-]}}
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{{#set: inchi key=InChIKey=BJYPZFUWWJSAKC-ARJAWSKDSA-K}}
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{{#set: common name=cis-homoaconitate}}
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{{#set: molecular weight=185.113    }}
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{{#set: common name=3-carboxyhex-2-enedioate|(Z)-but-1-ene-1,2,4-tricarboxylate|homo-cis-aconitate|(Z)-1,2,4-but-1-enetricarboxylic acid}}
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{{#set: consumed by=HOMOACONITATE-HYDRATASE-RXN}}
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{{#set: produced by=RXN3O-1983}}

Latest revision as of 19:39, 21 March 2018

Metabolite HOMO-CIS-ACONITATE

  • smiles:
    • C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-]
  • inchi key:
    • InChIKey=BJYPZFUWWJSAKC-ARJAWSKDSA-K
  • common name:
    • cis-homoaconitate
  • molecular weight:
    • 185.113
  • Synonym(s):
    • 3-carboxyhex-2-enedioate
    • (Z)-but-1-ene-1,2,4-tricarboxylate
    • homo-cis-aconitate
    • (Z)-1,2,4-but-1-enetricarboxylic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-" cannot be used as a page name in this wiki.




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