Difference between revisions of "CPD-6442"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-16097 RXN-16097] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6442 CPD-6442] == * smiles: ** COC(C1(C=CC=CC=1O))=O * inchi key: ** InChIKey=OSWPMRLSEDHDF...")
 
(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=RXN-16097 RXN-16097] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6442 CPD-6442] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** COC(C1(C=CC=CC=1O))=O
−
* ec number:
+
* inchi key:
−
** [http://enzyme.expasy.org/EC/1.3.1.93 EC-1.3.1.93]
+
** InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N
 +
* common name:
 +
** 1-O-methylsalicylate
 +
* molecular weight:
 +
** 152.149   
 
* Synonym(s):
 
* Synonym(s):
 +
** salicylate methyl ester
 +
** methyl salicylate
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
* [[RXNQT-4366]]
−
** 1 [[PROTON]][c] '''+''' 1 [[CPD-17348]][c] '''+''' 1 [[NADPH]][c] '''=>''' 1 [[CPD-12646]][c] '''+''' 1 [[NADP]][c]
+
== Reaction(s) known to produce the compound ==
−
* With common name(s):
+
== Reaction(s) of unknown directionality ==
−
** 1 H+[c] '''+''' 1 (2E, 11Z,14Z)-icosa-2,11,14-trienoyl-CoA[c] '''+''' 1 NADPH[c] '''=>''' 1 (11Z,14Z)-icosa-11,14-dienoyl-CoA[c] '''+''' 1 NADP+[c]
+
−
 
+
−
== Genes associated with this reaction  ==
+
−
== Pathways  ==
+
−
* [[PWY-7601]], arachidonate biosynthesis IV (8-detaturase, lower eukaryotes): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7601 PWY-7601]
+
−
** '''4''' reactions found over '''7''' reactions in the full pathway
+
−
* [[PWY-7725]], arachidonate biosynthesis V (8-detaturase, mammals): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7725 PWY-7725]
+
−
** '''5''' reactions found over '''6''' reactions in the full pathway
+
−
* [[PWY-6598]], sciadonate biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6598 PWY-6598]
+
−
** '''4''' reactions found over '''5''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* Category: [[gap-filling]]
+
−
** Source: [[gap-filling-gapfilling_solution_with_meneco_draft_medium]]
+
−
*** Tool: [[meneco]]
+
−
**** Comment: [[added for gapfilling]]
+
 
== External links  ==
 
== External links  ==
−
{{#set: direction=LEFT-TO-RIGHT}}
+
* PUBCHEM:
−
{{#set: ec number=EC-1.3.1.93}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4133 4133]
−
{{#set: in pathway=PWY-7601|PWY-7725|PWY-6598}}
+
* HMDB : HMDB34172
−
{{#set: reconstruction category=gap-filling}}
+
* LIGAND-CPD:
−
{{#set: reconstruction source=gap-filling-gapfilling_solution_with_meneco_draft_medium}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C12305 C12305]
−
{{#set: reconstruction tool=meneco}}
+
* CHEMSPIDER:
−
{{#set: reconstruction comment=added for gapfilling}}
+
** [http://www.chemspider.com/Chemical-Structure.13848808.html 13848808]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31832 31832]
 +
* METABOLIGHTS : MTBLC31832
 +
{{#set: smiles=COC(C1(C=CC=CC=1O))=O}}
 +
{{#set: inchi key=InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N}}
 +
{{#set: common name=1-O-methylsalicylate}}
 +
{{#set: molecular weight=152.149    }}
 +
{{#set: common name=salicylate methyl ester|methyl salicylate}}
 +
{{#set: consumed by=RXNQT-4366}}

Latest revision as of 19:53, 21 March 2018

Metabolite CPD-6442

  • smiles:
    • COC(C1(C=CC=CC=1O))=O
  • inchi key:
    • InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N
  • common name:
    • 1-O-methylsalicylate
  • molecular weight:
    • 152.149
  • Synonym(s):
    • salicylate methyl ester
    • methyl salicylate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=CPD-6442&oldid=30027"