Difference between revisions of "CPD1G-1344"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-16418 RXN-16418] == * direction: ** LEFT-TO-RIGHT * common name: ** long chain acyl-coA synthet...")
(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=RXN-16418 RXN-16418] ==
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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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** LEFT-TO-RIGHT
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** COC2(C=C1(C(OC(=O)C=C1)=CC=2O))
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* inchi key:
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** InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N
 
* common name:
 
* common name:
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** long chain acyl-coA synthetase
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** scopoletin
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** long chain acyl-CoA synthetase
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* molecular weight:
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* ec number:
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** 192.171   
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** [http://enzyme.expasy.org/EC/6.2.1.3 EC-6.2.1.3]
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* 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 [[OCTADEC-9-ENE-118-DIOIC-ACID]][c] '''+''' 1 [[CO-A]][c] '''+''' 1 [[ATP]][c] '''=>''' 1 [[AMP]][c] '''+''' 1 [[PPI]][c] '''+''' 1 [[CPD-17624]][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 α,ω-9Z-octadecenedioate[c] '''+''' 1 coenzyme A[c] '''+''' 1 ATP[c] '''=>''' 1 AMP[c] '''+''' 1 diphosphate[c] '''+''' 1 ω-carboxy-(9Z)-octadec-9-enoyl-CoA[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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* [[Ec-12_008720]]
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** ESILICULOSUS_GENOME
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***AUTOMATED-NAME-MATCH
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* [[Ec-03_003710]]
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** ESILICULOSUS_GENOME
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***AUTOMATED-NAME-MATCH
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* [[Ec-02_006430]]
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** ESILICULOSUS_GENOME
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***AUTOMATED-NAME-MATCH
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* [[Ec-01_001560]]
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** ESILICULOSUS_GENOME
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***AUTOMATED-NAME-MATCH
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== Pathways  ==
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* [[PWY-1121]], suberin monomers biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-1121 PWY-1121]
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** '''6''' reactions found over '''19''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[annotation]]
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** Source: [[annotation-esiliculosus_genome]]
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*** Tool: [[pathwaytools]]
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== External links  ==
 
== External links  ==
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{{#set: direction=LEFT-TO-RIGHT}}
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* NCI:
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{{#set: common name=long chain acyl-coA synthetase}}
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** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=405647 405647]
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{{#set: common name=long chain acyl-CoA synthetase}}
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* PUBCHEM:
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{{#set: ec number=EC-6.2.1.3}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280460 5280460]
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{{#set: gene associated=Ec-12_008720|Ec-03_003710|Ec-02_006430|Ec-01_001560}}
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* HMDB : HMDB34344
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{{#set: in pathway=PWY-1121}}
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* LIGAND-CPD:
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{{#set: reconstruction category=annotation}}
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** [http://www.genome.jp/dbget-bin/www_bget?C01752 C01752]
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{{#set: reconstruction source=annotation-esiliculosus_genome}}
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* CHEMSPIDER:
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{{#set: reconstruction tool=pathwaytools}}
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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 13:40, 21 March 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



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