Difference between revisions of "CATECHOL"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN1G-157 RXN1G-157] == * direction: ** LEFT-TO-RIGHT * common name: ** 3-oxo-behenoyl-[acyl-carrie...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CATECHOL CATECHOL] == * smiles: ** C1(C=CC(=C(C=1)O)O) * common name: ** catechol * inchi key:...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN1G-157 RXN1G-157] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CATECHOL CATECHOL] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** C1(C=CC(=C(C=1)O)O)
 
* common name:
 
* common name:
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** 3-oxo-behenoyl-[acyl-carrier protein] reductase
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** catechol
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** 3-oxoacyl-(acyl-carrier-protein)
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* inchi key:
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* ec number:
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** InChIKey=YCIMNLLNPGFGHC-UHFFFAOYSA-N
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** [http://enzyme.expasy.org/EC/1.1.1.100 EC-1.1.1.100]
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* molecular weight:
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** 110.112   
 
* Synonym(s):
 
* Synonym(s):
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** pyrocatechol
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** 2-hydroxyphenol
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** pyrocatechin
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** 1,2-dihydroxybenzene
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** 1,2-benzenediol
  
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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 [[3-oxo-behenoyl-ACPs]][c] '''+''' 1 [[NADPH]][c] '''+''' 1 [[PROTON]][c] '''=>''' 1 [[NADP]][c] '''+''' 1 [[R-3-hydroxybehenoyl-ACPs]][c]
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* [[RXN-3661]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 a 3-oxo-behenoyl-[acp][c] '''+''' 1 NADPH[c] '''+''' 1 H+[c] '''=>''' 1 NADP+[c] '''+''' 1 a (3R)-3-hydroxybehenoyl-[acp][c]
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* [[1.3.1.20-RXN]]
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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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* Gene: [[Tiso_gene_9885]]
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** Source: [[annotation-experimental_annotation]]
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*** Assignment: EC-NUMBER
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* Gene: [[Tiso_gene_13083]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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** Source: [[annotation-experimental_annotation]]
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*** Assignment: EC-NUMBER
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** Source: [[orthology-esiliculosus]]
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== Pathways  ==
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== Reconstruction information  ==
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* Category: [[orthology]]
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** Source: [[orthology-esiliculosus]]
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*** Tool: [[pantograph]]
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* Category: [[annotation]]
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** Source: [[annotation-in-silico_annotation]]
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*** Tool: [[pathwaytools]]
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** Source: [[annotation-experimental_annotation]]
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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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* CAS : 120-80-9
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{{#set: common name=3-oxo-behenoyl-[acyl-carrier protein] reductase}}
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* DRUGBANK : DB02232
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{{#set: common name=3-oxoacyl-(acyl-carrier-protein)}}
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* PUBCHEM:
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{{#set: ec number=EC-1.1.1.100}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=289 289]
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{{#set: gene associated=Tiso_gene_9885|Tiso_gene_13083}}
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* HMDB : HMDB00957
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{{#set: in pathway=}}
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* LIGAND-CPD:
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{{#set: reconstruction category=orthology|annotation}}
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** [http://www.genome.jp/dbget-bin/www_bget?C00090 C00090]
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{{#set: reconstruction source=annotation-in-silico_annotation|annotation-experimental_annotation|orthology-esiliculosus}}
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* CHEMSPIDER:
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{{#set: reconstruction tool=pantograph|pathwaytools}}
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** [http://www.chemspider.com/Chemical-Structure.13837760.html 13837760]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18135 18135]
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* METABOLIGHTS : MTBLC18135
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{{#set: smiles=C1(C=CC(=C(C=1)O)O)}}
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{{#set: common name=catechol}}
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{{#set: inchi key=InChIKey=YCIMNLLNPGFGHC-UHFFFAOYSA-N}}
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{{#set: molecular weight=110.112    }}
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{{#set: common name=pyrocatechol|2-hydroxyphenol|pyrocatechin|1,2-dihydroxybenzene|1,2-benzenediol}}
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{{#set: produced by=RXN-3661}}
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{{#set: reversible reaction associated=1.3.1.20-RXN}}

Latest revision as of 19:06, 21 March 2018

Metabolite CATECHOL

  • smiles:
    • C1(C=CC(=C(C=1)O)O)
  • common name:
    • catechol
  • inchi key:
    • InChIKey=YCIMNLLNPGFGHC-UHFFFAOYSA-N
  • molecular weight:
    • 110.112
  • Synonym(s):
    • pyrocatechol
    • 2-hydroxyphenol
    • pyrocatechin
    • 1,2-dihydroxybenzene
    • 1,2-benzenediol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 120-80-9
  • DRUGBANK : DB02232
  • PUBCHEM:
  • HMDB : HMDB00957
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC18135




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