Difference between revisions of "CPD-101"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN1F-93 RXN1F-93] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/1....")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-101 CPD-101] == * smiles: ** C1(OCCCCC1)=O * common name: ** ε-caprolactone * inchi...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN1F-93 RXN1F-93] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-101 CPD-101] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** C1(OCCCCC1)=O
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* ec number:
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* common name:
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** [http://enzyme.expasy.org/EC/1.14.11.23 EC-1.14.11.23]
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** ε-caprolactone
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* inchi key:
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** InChIKey=PAPBSGBWRJIAAV-UHFFFAOYSA-N
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* molecular weight:
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** 114.144   
 
* Synonym(s):
 
* Synonym(s):
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** 1-oxa-2-oxocycloheptane
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** 6-hexanolide
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** hexano-6-lactone
  
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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 [[DIHYDROKAEMPFEROL-CMPD]][c] '''+''' 1 [[2-KETOGLUTARATE]][c] '''+''' 1 [[OXYGEN-MOLECULE]][c] '''=>''' 1 [[PROTON]][c] '''+''' 1 [[CPD1F-90]][c] '''+''' 1 [[WATER]][c] '''+''' 1 [[CARBON-DIOXIDE]][c] '''+''' 1 [[SUC]][c]
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* [[CYCLOHEXANONE-MONOOXYGENASE-RXN]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 (+)-dihydrokaempferol[c] '''+''' 1 2-oxoglutarate[c] '''+''' 1 oxygen[c] '''=>''' 1 H+[c] '''+''' 1 kaempferol[c] '''+''' 1 H2O[c] '''+''' 1 CO2[c] '''+''' 1 succinate[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_3330]]
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** [[pantograph]]-[[athaliana]]
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** [[pantograph]]-[[esiliculosus]]
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== Pathways  ==
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* [[PWY-3101]], flavonol biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-3101 PWY-3101]
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** '''4''' reactions found over '''7''' reactions in the full pathway
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* [[PWY-6787]], flavonoid biosynthesis (in equisetum): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6787 PWY-6787]
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** '''5''' reactions found over '''10''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[orthology]]
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** Source: [[orthology-athaliana]]
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*** Tool: [[pantograph]]
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** Source: [[orthology-esiliculosus]]
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*** Tool: [[pantograph]]
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== External links  ==
 
== External links  ==
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* LIGAND-RXN:
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* CAS : 502-44-3
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** [http://www.genome.jp/dbget-bin/www_bget?R03126 R03126]
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* PUBCHEM:
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{{#set: direction=LEFT-TO-RIGHT}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10401 10401]
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{{#set: ec number=EC-1.14.11.23}}
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* HMDB : HMDB60476
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{{#set: gene associated=Tiso_gene_3330}}
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* LIGAND-CPD:
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{{#set: in pathway=PWY-3101|PWY-6787}}
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** [http://www.genome.jp/dbget-bin/www_bget?C01880 C01880]
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{{#set: reconstruction category=orthology}}
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* CHEMSPIDER:
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{{#set: reconstruction source=orthology-athaliana|orthology-esiliculosus}}
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** [http://www.chemspider.com/Chemical-Structure.9972.html 9972]
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{{#set: reconstruction tool=pantograph}}
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17915 17915]
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{{#set: smiles=C1(OCCCCC1)=O}}
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{{#set: common name=ε-caprolactone}}
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{{#set: inchi key=InChIKey=PAPBSGBWRJIAAV-UHFFFAOYSA-N}}
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{{#set: molecular weight=114.144    }}
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{{#set: common name=1-oxa-2-oxocycloheptane|6-hexanolide|hexano-6-lactone}}
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{{#set: produced by=CYCLOHEXANONE-MONOOXYGENASE-RXN}}

Latest revision as of 20:46, 21 March 2018

Metabolite CPD-101

  • smiles:
    • C1(OCCCCC1)=O
  • common name:
    • ε-caprolactone
  • inchi key:
    • InChIKey=PAPBSGBWRJIAAV-UHFFFAOYSA-N
  • molecular weight:
    • 114.144
  • Synonym(s):
    • 1-oxa-2-oxocycloheptane
    • 6-hexanolide
    • hexano-6-lactone

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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