Difference between revisions of "CPD-12014"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=PROTEIN-TYROSINE-SULFOTRANSFERASE-RXN PROTEIN-TYROSINE-SULFOTRANSFERASE-RXN] == * direction: ** REV...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12014 CPD-12014] == * smiles: ** CC(=O)NCCC1(=CNC2(C1=CC(OC)=C(O)C=2)) * common name: ** 6-...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=PROTEIN-TYROSINE-SULFOTRANSFERASE-RXN PROTEIN-TYROSINE-SULFOTRANSFERASE-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12014 CPD-12014] ==
* direction:
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* smiles:
** REVERSIBLE
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** CC(=O)NCCC1(=CNC2(C1=CC(OC)=C(O)C=2))
 
* common name:
 
* common name:
** polyketide_synthase
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** 6-hydroxymelatonin
* ec number:
+
* inchi key:
** [http://enzyme.expasy.org/EC/2.8.2.20 EC-2.8.2.20]
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** InChIKey=OMYMRCXOJJZYKE-UHFFFAOYSA-N
 +
* molecular weight:
 +
** 248.281   
 
* Synonym(s):
 
* Synonym(s):
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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* [[RXN-11058]]
** 1 [[Protein-Tyrosines]][c] '''+''' 1 [[PAPS]][c] '''<=>''' 1 [[Protein-tyrosine-O-sulfates]][c] '''+''' 1 [[3-5-ADP]][c] '''+''' 1 [[PROTON]][c]
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== Reaction(s) known to produce the compound ==
* With common name(s):
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* [[RXN-11056]]
** 1 a [protein]-L-tyrosine[c] '''+''' 1 3'-phosphoadenylyl-sulfate[c] '''<=>''' 1 a protein L-tyrosine-O-sulfate[c] '''+''' 1 adenosine 3',5'-bisphosphate[c] '''+''' 1 H+[c]
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== Reaction(s) of unknown directionality ==
 
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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_5424]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_6562]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_500]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_5425]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_135]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_6563]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_13394]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_136]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_10876]]
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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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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[in-silico_annotation]]
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== External links  ==
 
== External links  ==
* LIGAND-RXN:
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* PUBCHEM:
** [http://www.genome.jp/dbget-bin/www_bget?R02586 R02586]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1864 1864]
{{#set: direction=REVERSIBLE}}
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* HMDB : HMDB04081
{{#set: common name=polyketide_synthase}}
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* LIGAND-CPD:
{{#set: ec number=EC-2.8.2.20}}
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** [http://www.genome.jp/dbget-bin/www_bget?C05643 C05643]
{{#set: gene associated=Tiso_gene_5424|Tiso_gene_6562|Tiso_gene_500|Tiso_gene_5425|Tiso_gene_135|Tiso_gene_6563|Tiso_gene_13394|Tiso_gene_136|Tiso_gene_10876}}
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* CHEMSPIDER:
{{#set: in pathway=}}
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** [http://www.chemspider.com/Chemical-Structure.1794.html 1794]
{{#set: reconstruction category=annotation}}
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* CHEBI:
{{#set: reconstruction tool=pathwaytools}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=2198 2198]
{{#set: reconstruction source=in-silico_annotation}}
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* METABOLIGHTS : MTBLC2198
 +
{{#set: smiles=CC(=O)NCCC1(=CNC2(C1=CC(OC)=C(O)C=2))}}
 +
{{#set: common name=6-hydroxymelatonin}}
 +
{{#set: inchi key=InChIKey=OMYMRCXOJJZYKE-UHFFFAOYSA-N}}
 +
{{#set: molecular weight=248.281    }}
 +
{{#set: consumed by=RXN-11058}}
 +
{{#set: produced by=RXN-11056}}

Latest revision as of 20:03, 21 March 2018

Metabolite CPD-12014

  • smiles:
    • CC(=O)NCCC1(=CNC2(C1=CC(OC)=C(O)C=2))
  • common name:
    • 6-hydroxymelatonin
  • inchi key:
    • InChIKey=OMYMRCXOJJZYKE-UHFFFAOYSA-N
  • molecular weight:
    • 248.281
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • HMDB : HMDB04081
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC2198