Difference between revisions of "RXN-9626"

From metabolic_network
Jump to: navigation, search
(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: *...")
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-12539 RXN-12539] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CIS-ACONITATE CIS-ACONITATE] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** 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):
 
* Synonym(s):
 +
** (Z)-prop-1-ene-1,2,3-tricarboxylate
 +
** cis-aconitic acid
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
== Reaction(s) known to produce the compound ==
−
** 1 [[CPD-479]][c] '''+''' 1 [[CPD-12377]][c] '''=>''' 2 [[CARBON-DIOXIDE]][c] '''+''' 1 [[CPD-7671]][c] '''+''' 1 [[ETHYLENE-CMPD]][c]
+
== Reaction(s) of unknown directionality ==
−
* With common name(s):
+
* [[ACONITATEHYDR-RXN]]
−
** 1 4-(methylthio)-2-oxobutanoate[c] '''+''' 1 hydroxyl radical[c] '''=>''' 2 CO2[c] '''+''' 1 methanethiol[c] '''+''' 1 ethene[c]
+
* [[ACONITATEDEHYDR-RXN]]
−
 
+
−
== Genes associated with this reaction  ==
+
−
== Pathways  ==
+
−
* [[PWY-6854]], ethylene biosynthesis III (microbes): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6854 PWY-6854]
+
−
** '''5''' reactions found over '''7''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* [[annotation]]:
+
−
** [[pathwaytools]]:
+
−
*** [[original_genome]]
+
 
== External links  ==
 
== External links  ==
−
{{#set: direction=LEFT-TO-RIGHT}}
+
* CAS : 585-84-2
−
{{#set: in pathway=PWY-6854}}
+
* METABOLIGHTS : MTBLC16383
−
{{#set: reconstruction category=annotation}}
+
* PUBCHEM:
−
{{#set: reconstruction tool=pathwaytools}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459816 5459816]
−
{{#set: reconstruction source=original_genome}}
+
* KNAPSACK : C00001177
 +
* HMDB : HMDB00072
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00417 C00417]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.4573582.html 4573582]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16383 16383]
 +
* BIGG : acon_C
 +
{{#set: smiles=C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-]}}
 +
{{#set: inchi key=InChIKey=GTZCVFVGUGFEME-IWQZZHSRSA-K}}
 +
{{#set: common name=cis-aconitate}}
 +
{{#set: molecular weight=171.086    }}
 +
{{#set: common name=(Z)-prop-1-ene-1,2,3-tricarboxylate|cis-aconitic acid}}
 +
{{#set: consumed or produced by=ACONITATEHYDR-RXN|ACONITATEDEHYDR-RXN}}

Revision as of 12:32, 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.



Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=RXN-9626&oldid=8547"