Difference between revisions of "RXN-9626"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-12539 RXN-12539] == * direction: ** LEFT-TO-RIGHT * Synonym(s): == Reaction Formula == * With...")
 
(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: *...")
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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-12539 RXN-12539] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CIS-ACONITATE CIS-ACONITATE] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-]
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* inchi key:
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** InChIKey=GTZCVFVGUGFEME-IWQZZHSRSA-K
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* common name:
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** cis-aconitate
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* molecular weight:
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** 171.086   
 
* Synonym(s):
 
* Synonym(s):
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** (Z)-prop-1-ene-1,2,3-tricarboxylate
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** cis-aconitic 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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== Reaction(s) known to produce the compound ==
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** 1 [[CPD-479]][c] '''+''' 1 [[CPD-12377]][c] '''=>''' 2 [[CARBON-DIOXIDE]][c] '''+''' 1 [[CPD-7671]][c] '''+''' 1 [[ETHYLENE-CMPD]][c]
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== Reaction(s) of unknown directionality ==
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* With common name(s):
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* [[ACONITATEHYDR-RXN]]
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** 1 4-(methylthio)-2-oxobutanoate[c] '''+''' 1 hydroxyl radical[c] '''=>''' 2 CO2[c] '''+''' 1 methanethiol[c] '''+''' 1 ethene[c]
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* [[ACONITATEDEHYDR-RXN]]
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[PWY-6854]], ethylene biosynthesis III (microbes): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6854 PWY-6854]
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** '''5''' reactions found over '''7''' reactions in the full pathway
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== Reconstruction information  ==
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[original_genome]]
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== External links  ==
 
== External links  ==
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{{#set: direction=LEFT-TO-RIGHT}}
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* CAS : 585-84-2
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{{#set: in pathway=PWY-6854}}
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* METABOLIGHTS : MTBLC16383
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{{#set: reconstruction category=annotation}}
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* PUBCHEM:
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{{#set: reconstruction tool=pathwaytools}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459816 5459816]
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{{#set: reconstruction source=original_genome}}
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* KNAPSACK : C00001177
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* HMDB : HMDB00072
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* LIGAND-CPD:
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** [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}}

Revision as of 11:32, 18 January 2018

Metabolite CIS-ACONITATE

  • smiles:
    • C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-]
  • inchi key:
    • InChIKey=GTZCVFVGUGFEME-IWQZZHSRSA-K
  • common name:
    • cis-aconitate
  • molecular weight:
    • 171.086
  • Synonym(s):
    • (Z)-prop-1-ene-1,2,3-tricarboxylate
    • cis-aconitic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 585-84-2
  • METABOLIGHTS : MTBLC16383
  • PUBCHEM:
  • KNAPSACK : C00001177
  • HMDB : HMDB00072
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : acon_C
"C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-" cannot be used as a page name in this wiki.



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