Difference between revisions of "CPD-16817"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-13600 RXN-13600] == * direction: ** LEFT-TO-RIGHT * common name: ** Beta-glucosidase, family GH...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-108 CPD-108] == * smiles: ** CC1(C=CC(=CC=1)O) * inchi key: ** InChIKey=IWDCLRJOBJJRNH-UHFF...")
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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-13600 RXN-13600] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-108 CPD-108] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CC1(C=CC(=CC=1)O)
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* inchi key:
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** InChIKey=IWDCLRJOBJJRNH-UHFFFAOYSA-N
 
* common name:
 
* common name:
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** Beta-glucosidase, family GH1
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** 4-methylphenol
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** Beta-glucosidase, family GH3
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* molecular weight:
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** Beta-glucosidase, family GH30
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** 108.14   
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* ec number:
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** [http://enzyme.expasy.org/EC/3.2.1.21 EC-3.2.1.21]
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* Synonym(s):
 
* Synonym(s):
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** 4-hydroxytoluene
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** p-hydroxytoluene
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** 4-cresol
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** p-cresol
  
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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 [[WATER]][c] '''+''' 1 [[CPD-1103]][c] '''=>''' 1 [[4-HYDROXYBENZALDEHYDE]][c] '''+''' 1 [[Glucopyranose]][c] '''+''' 1 [[HCN]][c]
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== Reaction(s) of unknown directionality ==
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* With common name(s):
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* [[RXN-15588]]
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** 1 H2O[c] '''+''' 1 taxiphyllin[c] '''=>''' 1 4-hydroxybenzaldehyde[c] '''+''' 1 D-glucopyranose[c] '''+''' 1 hydrogen cyanide[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-20_004800]]
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** ESILICULOSUS_GENOME
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***EC-NUMBER
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* [[Ec-07_001850]]
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** ESILICULOSUS_GENOME
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***EC-NUMBER
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* [[Ec-26_002410]]
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** ESILICULOSUS_GENOME
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***EC-NUMBER
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* [[Ec-07_005240]]
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** ESILICULOSUS_GENOME
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***EC-NUMBER
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* [[Ec-04_002190]]
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** ESILICULOSUS_GENOME
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***EC-NUMBER
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== Pathways  ==
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* [[PWY-7089]], taxiphyllin bioactivation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7089 PWY-7089]
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** '''1''' reactions found over '''1''' 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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* CAS : 106-44-5
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{{#set: common name=Beta-glucosidase, family GH1}}
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* DRUGBANK : DB01688
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{{#set: common name=Beta-glucosidase, family GH3}}
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* PUBCHEM:
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{{#set: common name=Beta-glucosidase, family GH30}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=2879 2879]
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{{#set: ec number=EC-3.2.1.21}}
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* HMDB : HMDB01858
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{{#set: gene associated=Ec-20_004800|Ec-07_001850|Ec-26_002410|Ec-07_005240|Ec-04_002190}}
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* LIGAND-CPD:
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{{#set: in pathway=PWY-7089}}
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** [http://www.genome.jp/dbget-bin/www_bget?C01468 C01468]
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{{#set: reconstruction category=annotation}}
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* CHEMSPIDER:
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{{#set: reconstruction source=annotation-esiliculosus_genome}}
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** [http://www.chemspider.com/Chemical-Structure.13285340.html 13285340]
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{{#set: reconstruction tool=pathwaytools}}
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17847 17847]
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* METABOLIGHTS : MTBLC17847
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{{#set: smiles=CC1(C=CC(=CC=1)O)}}
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{{#set: inchi key=InChIKey=IWDCLRJOBJJRNH-UHFFFAOYSA-N}}
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{{#set: common name=4-methylphenol}}
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{{#set: molecular weight=108.14    }}
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{{#set: common name=4-hydroxytoluene|p-hydroxytoluene|4-cresol|p-cresol}}
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{{#set: reversible reaction associated=RXN-15588}}

Revision as of 14:50, 21 March 2018

Metabolite CPD-108

  • smiles:
    • CC1(C=CC(=CC=1)O)
  • inchi key:
    • InChIKey=IWDCLRJOBJJRNH-UHFFFAOYSA-N
  • common name:
    • 4-methylphenol
  • molecular weight:
    • 108.14
  • Synonym(s):
    • 4-hydroxytoluene
    • p-hydroxytoluene
    • 4-cresol
    • p-cresol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 106-44-5
  • DRUGBANK : DB01688
  • PUBCHEM:
  • HMDB : HMDB01858
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17847




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