Difference between revisions of "CPD-195"

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(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...")
 
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** CCCCCCCC(=O)[O-]
 
** CCCCCCCC(=O)[O-]
−
* common name:
 
−
** octanoate
 
−
* inchi key:
 
−
** InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M
 
 
* molecular weight:
 
* molecular weight:
 
** 143.205     
 
** 143.205     
 +
* inchi key:
 +
** InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M
 +
* common name:
 +
** octanoate
 
* Synonym(s):
 
* Synonym(s):
 
** octanoate (n-C8:0)
 
** octanoate (n-C8:0)
Line 28: Line 28:
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
* [[3.1.2.19-RXN-CPD-196/WATER//CPD-195/CO-A/PROTON.35.]]
 
* [[3.1.2.19-RXN-CPD-196/WATER//CPD-195/CO-A/PROTON.35.]]
 +
* [[R222-RXN]]
 
* [[THIOESTER-RXN[CCO-CYTOSOL]-CPD-196/WATER//CPD-195/CO-A/PROTON.48.]]
 
* [[THIOESTER-RXN[CCO-CYTOSOL]-CPD-196/WATER//CPD-195/CO-A/PROTON.48.]]
−
* [[R222-RXN]]
+
* [[ACECOATRANS-RXN-CPD-196/ACET//CPD-195/ACETYL-COA.33.]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[ACECOATRANS-RXN-CPD-196/ACET//CPD-195/ACETYL-COA.33.]]
 
 
== External links  ==
 
== External links  ==
−
* UM-BBD-CPD : c0047
 
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119389 119389]
 
−
* CAS : 124-07-2
 
−
* BIGG : octa
 
 
* NCI:
 
* NCI:
 
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=5024 5024]
 
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=5024 5024]
−
* HMDB : HMDB00482
 
−
* LIGAND-CPD:
 
−
** [http://www.genome.jp/dbget-bin/www_bget?C06423 C06423]
 
 
* CHEMSPIDER:
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.106634.html 106634]
 
** [http://www.chemspider.com/Chemical-Structure.106634.html 106634]
 +
* UM-BBD-CPD : c0047
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119389 119389]
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25646 25646]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25646 25646]
 +
* GO-TERMS : (REFMET "Caprylic acid" NIL midford 3701443689 NIL NIL)
 +
* CAS : 124-07-2
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C06423 C06423]
 +
* HMDB : HMDB00482
 
* METABOLIGHTS : MTBLC25646
 
* METABOLIGHTS : MTBLC25646
 +
* BIGG : octa
 
{{#set: smiles=CCCCCCCC(=O)[O-]}}
 
{{#set: smiles=CCCCCCCC(=O)[O-]}}
−
{{#set: common name=octanoate}}
 
−
{{#set: inchi key=InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M}}
 
 
{{#set: molecular weight=143.205    }}
 
{{#set: molecular weight=143.205    }}
 +
{{#set: inchi key=InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M}}
 +
{{#set: common name=octanoate}}
 
{{#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}}
 
{{#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}}
 
{{#set: consumed by=RXN0-5098|R223-RXN}}
 
{{#set: consumed by=RXN0-5098|R223-RXN}}
−
{{#set: produced by=3.1.2.19-RXN-CPD-196/WATER//CPD-195/CO-A/PROTON.35.|THIOESTER-RXN[CCO-CYTOSOL]-CPD-196/WATER//CPD-195/CO-A/PROTON.48.|R222-RXN}}
+
{{#set: produced by=3.1.2.19-RXN-CPD-196/WATER//CPD-195/CO-A/PROTON.35.|R222-RXN|THIOESTER-RXN[CCO-CYTOSOL]-CPD-196/WATER//CPD-195/CO-A/PROTON.48.|ACECOATRANS-RXN-CPD-196/ACET//CPD-195/ACETYL-COA.33.}}
−
{{#set: reversible reaction associated=ACECOATRANS-RXN-CPD-196/ACET//CPD-195/ACETYL-COA.33.}}
+

Latest revision as of 14:51, 10 January 2019

Metabolite CPD-195

  • smiles:
    • CCCCCCCC(=O)[O-]
  • molecular weight:
    • 143.205
  • inchi key:
    • InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M
  • common name:
    • octanoate
  • 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

  • NCI:
  • CHEMSPIDER:
  • UM-BBD-CPD : c0047
  • PUBCHEM:
  • CHEBI:
  • GO-TERMS : (REFMET "Caprylic acid" NIL midford 3701443689 NIL NIL)
  • CAS : 124-07-2
  • LIGAND-CPD:
  • HMDB : HMDB00482
  • METABOLIGHTS : MTBLC25646
  • BIGG : octa
"CCCCCCCC(=O)[O-" cannot be used as a page name in this wiki.



"THIOESTER-RXN[CCO-CYTOSOL]-CPD-196/WATER//CPD-195/CO-A/PROTON.48." cannot be used as a page name in this wiki.
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