Difference between revisions of "SCOPOLETIN"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=ENZRXN-201-RXN ENZRXN-201-RXN] == * direction: ** REVERSIBLE * ec number: ** [http://enzyme.expasy....")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLETIN SCOPOLETIN] == * smiles: ** COC2(C=C1(C(OC(=O)C=C1)=CC=2O)) * inchi key: ** InChIKey...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=ENZRXN-201-RXN ENZRXN-201-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLETIN SCOPOLETIN] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** COC2(C=C1(C(OC(=O)C=C1)=CC=2O))
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/1.1.1 EC-1.1.1]
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** InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N
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* common name:
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** scopoletin
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* molecular weight:
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** 192.171   
 
* 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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== Reaction(s) known to produce the compound ==
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** 1 [[BUTANOL]][c] '''+''' 1 [[NADP]][c] '''<=>''' 1 [[NADPH]][c] '''+''' 1 [[BUTANAL]][c] '''+''' 1 [[PROTON]][c]
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* [[RXN-14179]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 butan-1-ol[c] '''+''' 1 NADP+[c] '''<=>''' 1 NADPH[c] '''+''' 1 butan-1-al[c] '''+''' 1 H+[c]
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[PWY-6583]], pyruvate fermentation to butanol I: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6583 PWY-6583]
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** '''5''' reactions found over '''8''' reactions in the full pathway
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== Reconstruction information  ==
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* [[gap-filling]]:
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** [[meneco]]:
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*** [[added for gapfilling]]
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== External links  ==
 
== External links  ==
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* LIGAND-RXN:
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* NCI:
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** [http://www.genome.jp/dbget-bin/www_bget?R03545 R03545]
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** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=405647 405647]
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{{#set: direction=REVERSIBLE}}
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* PUBCHEM:
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{{#set: ec number=EC-1.1.1}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280460 5280460]
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{{#set: in pathway=PWY-6583}}
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* HMDB : HMDB34344
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{{#set: reconstruction category=gap-filling}}
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* LIGAND-CPD:
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{{#set: reconstruction tool=meneco}}
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** [http://www.genome.jp/dbget-bin/www_bget?C01752 C01752]
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{{#set: reconstruction source=added for gapfilling}}
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4444113.html 4444113]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17488 17488]
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* METABOLIGHTS : MTBLC17488
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{{#set: smiles=COC2(C=C1(C(OC(=O)C=C1)=CC=2O))}}
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{{#set: inchi key=InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N}}
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{{#set: common name=scopoletin}}
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{{#set: molecular weight=192.171    }}
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{{#set: produced by=RXN-14179}}

Revision as of 16:19, 23 May 2018

Metabolite SCOPOLETIN

  • smiles:
    • COC2(C=C1(C(OC(=O)C=C1)=CC=2O))
  • inchi key:
    • InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N
  • common name:
    • scopoletin
  • molecular weight:
    • 192.171
  • 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=SCOPOLETIN&oldid=16800"