Difference between revisions of "SCOPOLIN"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-12869 RXN-12869] == * direction: ** LEFT-TO-RIGHT * Synonym(s): == Reaction Formula == * With...")
 
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-12869 RXN-12869] ==
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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)))
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* molecular weight:
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** 354.313   
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* inchi key:
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** InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N
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* common name:
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** scopolin
 
* 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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** 2 [[L-DEHYDRO-ASCORBATE]][c] '''+''' 1 [[OXYGEN-MOLECULE]][c] '''=>''' 2 [[PROTON]][c] '''+''' 2 [[CPD-13914]][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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** 2 L-dehydro-ascorbate[c] '''+''' 1 oxygen[c] '''=>''' 2 H+[c] '''+''' 2 cyclic-2,3-O-oxalyl-L-threonate[c]
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[PWY-6960]], L-ascorbate degradation III: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6960 PWY-6960]
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** '''3''' reactions found over '''6''' reactions in the full pathway
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== Reconstruction information  ==
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[original_genome]]
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== External links  ==
 
== External links  ==
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{{#set: direction=LEFT-TO-RIGHT}}
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* METABOLIGHTS : MTBLC16065
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{{#set: in pathway=PWY-6960}}
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* CAS : 531-44-2
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{{#set: reconstruction category=annotation}}
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* CHEMSPIDER:
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{{#set: reconstruction tool=pathwaytools}}
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** [http://www.chemspider.com/Chemical-Structure.307225.html 307225]
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{{#set: reconstruction source=original_genome}}
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16065 16065]
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C01527 C01527]
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* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439514 439514]
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* NCI:
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** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=404560 404560]
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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: molecular weight=354.313    }}
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{{#set: inchi key=InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N}}
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{{#set: common name=scopolin}}
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{{#set: consumed by=RXN-14179}}

Latest revision as of 17:25, 9 January 2019

Metabolite SCOPOLIN

  • smiles:
    • COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))
  • molecular weight:
    • 354.313
  • inchi key:
    • InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N
  • common name:
    • scopolin
  • 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/ccrgem/index.php?title=SCOPOLIN&oldid=21716"