Difference between revisions of "SCOPOLIN"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-16559 RXN-16559] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLIN SCOPOLIN] == * smiles: ** COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O))) * inc...")
 
(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-16559 RXN-16559] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLIN SCOPOLIN] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))
−
* ec number:
+
* inchi key:
−
** [http://enzyme.expasy.org/EC/1.1.1.211 EC-1.1.1.211]
+
** InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N
 +
* common name:
 +
** scopolin
 +
* molecular weight:
 +
** 354.313   
 
* Synonym(s):
 
* Synonym(s):
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
* [[RXN-14179]]
−
** 1 [[NAD]][c] '''+''' 1 [[CPD-17814]][c] '''=>''' 1 [[CPD-17815]][c] '''+''' 1 [[NADH]][c] '''+''' 1 [[PROTON]][c]
+
== Reaction(s) known to produce the compound ==
−
* With common name(s):
+
== Reaction(s) of unknown directionality ==
−
** 1 NAD+[c] '''+''' 1 (11Z)-(S)-3-hydroxyhexadec-11-enoyl-CoA[c] '''=>''' 1 (11Z)-3-oxo-hexadecenoyl-CoA[c] '''+''' 1 NADH[c] '''+''' 1 H+[c]
+
−
 
+
−
== Genes associated with this reaction  ==
+
−
== Pathways  ==
+
−
* [[PWY-7656]], Spodoptera littoralis pheromone biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7656 PWY-7656]
+
−
** '''4''' reactions found over '''22''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* Category: [[annotation]]
+
−
** Source: [[annotation-esiliculosus_genome]]
+
−
*** Tool: [[pathwaytools]]
+
 
== External links  ==
 
== External links  ==
−
{{#set: direction=LEFT-TO-RIGHT}}
+
* NCI:
−
{{#set: ec number=EC-1.1.1.211}}
+
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=404560 404560]
−
{{#set: in pathway=PWY-7656}}
+
* CAS : 531-44-2
−
{{#set: reconstruction category=annotation}}
+
* PUBCHEM:
−
{{#set: reconstruction source=annotation-esiliculosus_genome}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439514 439514]
−
{{#set: reconstruction tool=pathwaytools}}
+
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C01527 C01527]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.307225.html 307225]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16065 16065]
 +
* METABOLIGHTS : MTBLC16065
 +
{{#set: smiles=COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))}}
 +
{{#set: inchi key=InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N}}
 +
{{#set: common name=scopolin}}
 +
{{#set: molecular weight=354.313    }}
 +
{{#set: consumed by=RXN-14179}}

Latest revision as of 19:24, 21 March 2018

Metabolite SCOPOLIN

  • smiles:
    • COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))
  • inchi key:
    • InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N
  • common name:
    • scopolin
  • molecular weight:
    • 354.313
  • Synonym(s):

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=SCOPOLIN&oldid=26712"