Difference between revisions of "SCOPOLIN"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=GLYOXYLATE-REDUCTASE-NADP+-RXN GLYOXYLATE-REDUCTASE-NADP+-RXN] == * direction: ** LEFT-TO-RIGHT * c...")
 
(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))) * com...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=GLYOXYLATE-REDUCTASE-NADP+-RXN GLYOXYLATE-REDUCTASE-NADP+-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLIN SCOPOLIN] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))
 
* common name:
 
* common name:
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** probable_gamma_hydroxybutyrate_dehydrogenase
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** scopolin
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** gamma_hydroxybutyrate_dehydrogenase
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* inchi key:
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* ec number:
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** InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N
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** [http://enzyme.expasy.org/EC/1.1.1.79 EC-1.1.1.79]
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* molecular weight:
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** 354.313   
 
* Synonym(s):
 
* Synonym(s):
  
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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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* [[RXN-14179]]
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** 1 [[PROTON]][c] '''+''' 1 [[GLYOX]][c] '''+''' 1 [[NADPH]][c] '''=>''' 1 [[NADP]][c] '''+''' 1 [[GLYCOLLATE]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 H+[c] '''+''' 1 glyoxylate[c] '''+''' 1 NADPH[c] '''=>''' 1 NADP+[c] '''+''' 1 glycolate[c]
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== Genes associated with this reaction  ==
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Genes have been associated with this reaction based on different elements listed below.
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* [[Tiso_gene_91]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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** EXPERIMENTAL_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_777]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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** EXPERIMENTAL_ANNOTATION
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***EC-NUMBER
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== Pathways  ==
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== Reconstruction information  ==
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[experimental_annotation]]
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*** [[in-silico_annotation]]
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== External links  ==
 
== External links  ==
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* LIGAND-RXN:
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* PUBCHEM:
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** [http://www.genome.jp/dbget-bin/www_bget?R00465 R00465]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439514 439514]
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{{#set: direction=LEFT-TO-RIGHT}}
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* CAS : 531-44-2
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{{#set: common name=probable_gamma_hydroxybutyrate_dehydrogenase}}
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* NCI:
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{{#set: common name=gamma_hydroxybutyrate_dehydrogenase}}
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** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=404560 404560]
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{{#set: ec number=EC-1.1.1.79}}
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* LIGAND-CPD:
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{{#set: gene associated=Tiso_gene_91|Tiso_gene_777}}
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** [http://www.genome.jp/dbget-bin/www_bget?C01527 C01527]
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{{#set: in pathway=}}
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* CHEMSPIDER:
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{{#set: reconstruction category=annotation}}
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** [http://www.chemspider.com/Chemical-Structure.307225.html 307225]
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{{#set: reconstruction tool=pathwaytools}}
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* CHEBI:
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{{#set: reconstruction source=experimental_annotation|in-silico_annotation}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16065 16065]
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* METABOLIGHTS : MTBLC16065
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{{#set: smiles=COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))}}
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{{#set: common name=scopolin}}
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{{#set: inchi key=InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N}}
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{{#set: molecular weight=354.313    }}
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{{#set: consumed by=RXN-14179}}

Latest revision as of 20:41, 21 March 2018

Metabolite SCOPOLIN

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



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