Difference between revisions of "CPD-12014"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-8773 RXN-8773] == * direction: ** REVERSIBLE * common name: ** oxidoreductase ** aldo_keto_redu...")
 
(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=RXN-8773 RXN-8773] ==
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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:
** oxidoreductase
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** 6-hydroxymelatonin
** aldo_keto_reductase
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* inchi key:
** aldose_reductase
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** InChIKey=OMYMRCXOJJZYKE-UHFFFAOYSA-N
* ec number:
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* molecular weight:
** [http://enzyme.expasy.org/EC/1.1.1.21 EC-1.1.1.21]
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** 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 [[XYLITOL]][c] '''+''' 1 [[NADP]][c] '''<=>''' 1 [[D-Xylopyranose]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[NADPH]][c]
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== Reaction(s) known to produce the compound ==
* With common name(s):
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* [[RXN-11056]]
** 1 xylitol[c] '''+''' 1 NADP+[c] '''<=>''' 1 D-xylopyranose[c] '''+''' 1 H+[c] '''+''' 1 NADPH[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_18748]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_7799]]
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** IN-SILICO_ANNOTATION
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***AUTOMATED-NAME-MATCH
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* [[Tiso_gene_7800]]
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** IN-SILICO_ANNOTATION
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***AUTOMATED-NAME-MATCH
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* [[Tiso_gene_8988]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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== Pathways  ==
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* [[PWY-5516]], xylose degradation II: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5516 PWY-5516]
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** '''1''' reactions found over '''1''' reactions in the full pathway
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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  ==
* RHEA:
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* PUBCHEM:
** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=27445 27445]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1864 1864]
* LIGAND-RXN:
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* HMDB : HMDB04081
** [http://www.genome.jp/dbget-bin/www_bget?R01431 R01431]
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* LIGAND-CPD:
{{#set: direction=REVERSIBLE}}
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** [http://www.genome.jp/dbget-bin/www_bget?C05643 C05643]
{{#set: common name=oxidoreductase}}
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* CHEMSPIDER:
{{#set: common name=aldo_keto_reductase}}
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** [http://www.chemspider.com/Chemical-Structure.1794.html 1794]
{{#set: common name=aldose_reductase}}
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* CHEBI:
{{#set: ec number=EC-1.1.1.21}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=2198 2198]
{{#set: gene associated=Tiso_gene_18748|Tiso_gene_7799|Tiso_gene_7800|Tiso_gene_8988}}
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* METABOLIGHTS : MTBLC2198
{{#set: in pathway=PWY-5516}}
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{{#set: smiles=CC(=O)NCCC1(=CNC2(C1=CC(OC)=C(O)C=2))}}
{{#set: reconstruction category=annotation}}
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{{#set: common name=6-hydroxymelatonin}}
{{#set: reconstruction tool=pathwaytools}}
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{{#set: inchi key=InChIKey=OMYMRCXOJJZYKE-UHFFFAOYSA-N}}
{{#set: reconstruction source=in-silico_annotation}}
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{{#set: molecular weight=248.281    }}
 +
{{#set: consumed by=RXN-11058}}
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{{#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