Difference between revisions of "CPD-786"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=HOMOGENTISATE-12-DIOXYGENASE-RXN HOMOGENTISATE-12-DIOXYGENASE-RXN] == * direction: ** LEFT-TO-RIGHT...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-786 CPD-786] == * smiles: ** C(CCC=CC(C([O-])=O)=O)([O-])=O * common name: ** (4Z)-2-oxohep...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=HOMOGENTISATE-12-DIOXYGENASE-RXN HOMOGENTISATE-12-DIOXYGENASE-RXN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-786 CPD-786] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** C(CCC=CC(C([O-])=O)=O)([O-])=O
 
* common name:
 
* common name:
−
** homogentisate_-dioxygenase
+
** (4Z)-2-oxohept-4-enedioate
−
* ec number:
+
* inchi key:
−
** [http://enzyme.expasy.org/EC/1.13.11.5 EC-1.13.11.5]
+
** InChIKey=HYVSZVZMTYIHKF-IWQZZHSRSA-L
 +
* molecular weight:
 +
** 170.121   
 
* Synonym(s):
 
* Synonym(s):
 +
** OHED
 +
** 2-oxo-hept-3-ene-1,7-dioate
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
== Reaction(s) known to produce the compound ==
−
** 1 [[HOMOGENTISATE]][c] '''+''' 1 [[OXYGEN-MOLECULE]][c] '''=>''' 1 [[4-MALEYL-ACETOACETATE]][c] '''+''' 1 [[PROTON]][c]
+
* [[RXN1K-87]]
−
* With common name(s):
+
== Reaction(s) of unknown directionality ==
−
** 1 homogentisate[c] '''+''' 1 oxygen[c] '''=>''' 1 4-maleyl-acetoacetate[c] '''+''' 1 H+[c]
+
−
 
+
−
== Genes associated with this reaction  ==
+
−
Genes have been associated with this reaction based on different elements listed below.
+
−
* [[Tiso_gene_20095]]
+
−
** IN-SILICO_ANNOTATION
+
−
***AUTOMATED-NAME-MATCH
+
−
** [[pantograph]]-[[esiliculosus]]
+
−
== Pathways  ==
+
−
* [[TYRFUMCAT-PWY]], L-tyrosine degradation I: [http://metacyc.org/META/NEW-IMAGE?object=TYRFUMCAT-PWY TYRFUMCAT-PWY]
+
−
** '''4''' reactions found over '''5''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* Category: [[orthology]]
+
−
** Source: [[orthology-esiliculosus]]
+
−
*** Tool: [[pantograph]]
+
−
* Category: [[annotation]]
+
−
** Source: [[annotation-in-silico_annotation]]
+
−
*** Tool: [[pathwaytools]]
+
 
== External links  ==
 
== External links  ==
−
* RHEA:
+
* PUBCHEM:
−
** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=15449 15449]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9543150 9543150]
−
* LIGAND-RXN:
+
* CHEMSPIDER:
−
** [http://www.genome.jp/dbget-bin/www_bget?R02519 R02519]
+
** [http://www.chemspider.com/Chemical-Structure.4573699.html 4573699]
−
* UNIPROT:
+
* CHEBI:
−
** [http://www.uniprot.org/uniprot/Q9Y041 Q9Y041]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17205 17205]
−
{{#set: direction=LEFT-TO-RIGHT}}
+
* LIGAND-CPD:
−
{{#set: common name=homogentisate_-dioxygenase}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C03063 C03063]
−
{{#set: ec number=EC-1.13.11.5}}
+
{{#set: smiles=C(CCC=CC(C([O-])=O)=O)([O-])=O}}
−
{{#set: gene associated=Tiso_gene_20095}}
+
{{#set: common name=(4Z)-2-oxohept-4-enedioate}}
−
{{#set: in pathway=TYRFUMCAT-PWY}}
+
{{#set: inchi key=InChIKey=HYVSZVZMTYIHKF-IWQZZHSRSA-L}}
−
{{#set: reconstruction category=orthology|annotation}}
+
{{#set: molecular weight=170.121    }}
−
{{#set: reconstruction source=annotation-in-silico_annotation|orthology-esiliculosus}}
+
{{#set: common name=OHED|2-oxo-hept-3-ene-1,7-dioate}}
−
{{#set: reconstruction tool=pantograph|pathwaytools}}
+
{{#set: produced by=RXN1K-87}}

Latest revision as of 19:07, 21 March 2018

Metabolite CPD-786

  • smiles:
    • C(CCC=CC(C([O-])=O)=O)([O-])=O
  • common name:
    • (4Z)-2-oxohept-4-enedioate
  • inchi key:
    • InChIKey=HYVSZVZMTYIHKF-IWQZZHSRSA-L
  • molecular weight:
    • 170.121
  • Synonym(s):
    • OHED
    • 2-oxo-hept-3-ene-1,7-dioate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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



Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-786&oldid=39600"