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-16817 CPD-16817] == * smiles: ** C2(C=CC1(=C(C(OS([O-])(=O)=O)=CN1)C=2)) * inchi key: ** In...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
== 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-16817 CPD-16817] ==
* direction:
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* smiles:
** LEFT-TO-RIGHT
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** C2(C=CC1(=C(C(OS([O-])(=O)=O)=CN1)C=2))
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* inchi key:
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** InChIKey=BXFFHSIDQOFMLE-UHFFFAOYSA-M
 
* common name:
 
* common name:
** Beta-glucosidase, family GH1
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** indoxyl sulfate
** Beta-glucosidase, family GH3
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* molecular weight:
** Beta-glucosidase, family GH30
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** 212.2  
* 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):
 +
** indol-3-yl sulfate
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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== Reaction(s) known to produce the compound ==
** 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 ==
* With common name(s):
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* [[RXN-15587]]
** 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  ==
{{#set: direction=LEFT-TO-RIGHT}}
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* PUBCHEM:
{{#set: common name=Beta-glucosidase, family GH1}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4453098 4453098]
{{#set: common name=Beta-glucosidase, family GH3}}
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* CHEBI:
{{#set: common name=Beta-glucosidase, family GH30}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=43355 43355]
{{#set: ec number=EC-3.2.1.21}}
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* HMDB : HMDB00682
{{#set: gene associated=Ec-20_004800|Ec-07_001850|Ec-26_002410|Ec-07_005240|Ec-04_002190}}
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{{#set: smiles=C2(C=CC1(=C(C(OS([O-])(=O)=O)=CN1)C=2))}}
{{#set: in pathway=PWY-7089}}
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{{#set: inchi key=InChIKey=BXFFHSIDQOFMLE-UHFFFAOYSA-M}}
{{#set: reconstruction category=annotation}}
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{{#set: common name=indoxyl sulfate}}
{{#set: reconstruction source=annotation-esiliculosus_genome}}
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{{#set: molecular weight=212.2    }}
{{#set: reconstruction tool=pathwaytools}}
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{{#set: common name=indol-3-yl sulfate}}
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{{#set: reversible reaction associated=RXN-15587}}

Latest revision as of 19:49, 21 March 2018

Metabolite CPD-16817

  • smiles:
    • C2(C=CC1(=C(C(OS([O-])(=O)=O)=CN1)C=2))
  • inchi key:
    • InChIKey=BXFFHSIDQOFMLE-UHFFFAOYSA-M
  • common name:
    • indoxyl sulfate
  • molecular weight:
    • 212.2
  • Synonym(s):
    • indol-3-yl sulfate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C2(C=CC1(=C(C(OS([O-])(=O)=O)=CN1)C=2))" cannot be used as a page name in this wiki.