Difference between revisions of "CPD-195"

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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-195 CPD-195] == * smiles: ** CCCCCCCC(=O)[O-] * common name: ** octanoate * inchi key: ** I...")
 
(2 intermediate revisions 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=RXN-8773 RXN-8773] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-195 CPD-195] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** CCCCCCCC(=O)[O-]
 
* common name:
 
* common name:
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** oxidoreductase
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** octanoate
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** aldo_keto_reductase
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* inchi key:
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** aldose_reductase
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** InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M
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* ec number:
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* molecular weight:
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** [http://enzyme.expasy.org/EC/1.1.1.21 EC-1.1.1.21]
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** 143.205   
 
* Synonym(s):
 
* Synonym(s):
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** octanoate (n-C8:0)
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** C-8 acid
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** n-caprylic acid
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** caprylic acid
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** capryloate
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** 1-heptanecarboxylic acid
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** neo-fat 8
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** octanoic acid
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** n-octanoic acid
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** n-octic acid
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** octoic acid
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** n-octylic acid
  
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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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* [[RXN0-5098]]
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** 1 [[XYLITOL]][c] '''+''' 1 [[NADP]][c] '''<=>''' 1 [[NADPH]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[D-Xylopyranose]][c]
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* [[R223-RXN]]
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* With common name(s):
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== Reaction(s) known to produce the compound ==
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** 1 xylitol[c] '''+''' 1 NADP+[c] '''<=>''' 1 NADPH[c] '''+''' 1 H+[c] '''+''' 1 D-xylopyranose[c]
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* [[R222-RXN]]
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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_7799]]
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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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* [[Tiso_gene_7800]]
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** IN-SILICO_ANNOTATION
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***AUTOMATED-NAME-MATCH
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* [[Tiso_gene_18748]]
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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  ==
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* RHEA:
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* UM-BBD-CPD : c0047
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=27445 27445]
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* PUBCHEM:
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* LIGAND-RXN:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119389 119389]
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** [http://www.genome.jp/dbget-bin/www_bget?R01431 R01431]
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* CAS : 124-07-2
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{{#set: direction=REVERSIBLE}}
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* BIGG : octa
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{{#set: common name=oxidoreductase}}
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* NCI:
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{{#set: common name=aldo_keto_reductase}}
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** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=5024 5024]
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{{#set: common name=aldose_reductase}}
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* HMDB : HMDB00482
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{{#set: ec number=EC-1.1.1.21}}
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* LIGAND-CPD:
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{{#set: gene associated=Tiso_gene_7799|Tiso_gene_8988|Tiso_gene_7800|Tiso_gene_18748}}
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** [http://www.genome.jp/dbget-bin/www_bget?C06423 C06423]
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{{#set: in pathway=PWY-5516}}
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* CHEMSPIDER:
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{{#set: reconstruction category=annotation}}
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** [http://www.chemspider.com/Chemical-Structure.106634.html 106634]
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{{#set: reconstruction tool=pathwaytools}}
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* CHEBI:
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{{#set: reconstruction source=in-silico_annotation}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25646 25646]
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* METABOLIGHTS : MTBLC25646
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{{#set: smiles=CCCCCCCC(=O)[O-]}}
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{{#set: common name=octanoate}}
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{{#set: inchi key=InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M}}
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{{#set: molecular weight=143.205    }}
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{{#set: common name=octanoate (n-C8:0)|C-8 acid|n-caprylic acid|caprylic acid|capryloate|1-heptanecarboxylic acid|neo-fat 8|octanoic acid|n-octanoic acid|n-octic acid|octoic acid|n-octylic acid}}
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{{#set: consumed by=RXN0-5098|R223-RXN}}
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{{#set: produced by=R222-RXN}}

Latest revision as of 20:03, 21 March 2018

Metabolite CPD-195

  • smiles:
    • CCCCCCCC(=O)[O-]
  • common name:
    • octanoate
  • inchi key:
    • InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M
  • molecular weight:
    • 143.205
  • Synonym(s):
    • octanoate (n-C8:0)
    • C-8 acid
    • n-caprylic acid
    • caprylic acid
    • capryloate
    • 1-heptanecarboxylic acid
    • neo-fat 8
    • octanoic acid
    • n-octanoic acid
    • n-octic acid
    • octoic acid
    • n-octylic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • UM-BBD-CPD : c0047
  • PUBCHEM:
  • CAS : 124-07-2
  • BIGG : octa
  • NCI:
  • HMDB : HMDB00482
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC25646
"CCCCCCCC(=O)[O-" cannot be used as a page name in this wiki.




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