Difference between revisions of "CPD-12015"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=VINYLACETYL-COA-DELTA-ISOMERASE-RXN VINYLACETYL-COA-DELTA-ISOMERASE-RXN] == * direction: ** REVERSI...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12015 CPD-12015] == * smiles: ** CC(=O)NCCC1(C2(=C(NC=1)C=C(OS([O-])(=O)=O)C(OC)=C2)) * com...")
 
(One intermediate revision by the same user not shown)
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=VINYLACETYL-COA-DELTA-ISOMERASE-RXN VINYLACETYL-COA-DELTA-ISOMERASE-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12015 CPD-12015] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** CC(=O)NCCC1(C2(=C(NC=1)C=C(OS([O-])(=O)=O)C(OC)=C2))
 
* common name:
 
* common name:
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** structural_maintenance_of_chromosomes_protein_6
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** 6-sulfatoxymelatonin
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/5.3.3.3 EC-5.3.3.3]
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** InChIKey=QQEILXDLZRLTME-UHFFFAOYSA-M
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* molecular weight:
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** 327.331   
 
* Synonym(s):
 
* Synonym(s):
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** 6-sulphatoxymelatonin
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** 6-hydroxymelatoninsulfate
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** 6-hydroxymelatonin sulfate ester
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** acetamide, N-(2-(5-methoxy-6-(sulfooxy)-1H-indol-3-yl)ethyl)-
  
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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 [[CPD-226]][c] '''<=>''' 1 [[CROTONYL-COA]][c]
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* [[RXN-11058]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 vinylacetyl-CoA[c] '''<=>''' 1 crotonyl-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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* [[Tiso_gene_10015]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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== Pathways  ==
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== Reconstruction information  ==
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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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== External links  ==
 
== External links  ==
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* RHEA:
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* PUBCHEM:
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=10572 10572]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=38988602 38988602]
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* LIGAND-RXN:
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* CHEMSPIDER:
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** [http://www.genome.jp/dbget-bin/www_bget?R03031 R03031]
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** [http://www.chemspider.com/Chemical-Structure.58606.html 58606]
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{{#set: direction=REVERSIBLE}}
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* HMDB : HMDB41815
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{{#set: common name=structural_maintenance_of_chromosomes_protein_6}}
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{{#set: smiles=CC(=O)NCCC1(C2(=C(NC=1)C=C(OS([O-])(=O)=O)C(OC)=C2))}}
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{{#set: ec number=EC-5.3.3.3}}
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{{#set: common name=6-sulfatoxymelatonin}}
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{{#set: gene associated=Tiso_gene_10015}}
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{{#set: inchi key=InChIKey=QQEILXDLZRLTME-UHFFFAOYSA-M}}
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{{#set: in pathway=}}
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{{#set: molecular weight=327.331    }}
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{{#set: reconstruction category=annotation}}
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{{#set: common name=6-sulphatoxymelatonin|6-hydroxymelatoninsulfate|6-hydroxymelatonin sulfate ester|acetamide, N-(2-(5-methoxy-6-(sulfooxy)-1H-indol-3-yl)ethyl)-}}
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{{#set: reconstruction source=annotation-in-silico_annotation}}
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{{#set: produced by=RXN-11058}}
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{{#set: reconstruction tool=pathwaytools}}
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Latest revision as of 20:05, 21 March 2018

Metabolite CPD-12015

  • smiles:
    • CC(=O)NCCC1(C2(=C(NC=1)C=C(OS([O-])(=O)=O)C(OC)=C2))
  • common name:
    • 6-sulfatoxymelatonin
  • inchi key:
    • InChIKey=QQEILXDLZRLTME-UHFFFAOYSA-M
  • molecular weight:
    • 327.331
  • Synonym(s):
    • 6-sulphatoxymelatonin
    • 6-hydroxymelatoninsulfate
    • 6-hydroxymelatonin sulfate ester
    • acetamide, N-(2-(5-methoxy-6-(sulfooxy)-1H-indol-3-yl)ethyl)-

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=O)NCCC1(C2(=C(NC=1)C=C(OS([O-])(=O)=O)C(OC)=C2))" cannot be used as a page name in this wiki.



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