Difference between revisions of "CPD-195"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-8391 RXN-8391] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/2....")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-195 CPD-195] == * smiles: ** CCCCCCCC(=O)[O-] * inchi key: ** InChIKey=WWZKQHOCKIZLMA-UHFFF...")
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-8391 RXN-8391] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-195 CPD-195] ==
−
* direction:
+
* smiles:
−
** LEFT-TO-RIGHT
+
** CCCCCCCC(=O)[O-]
−
* ec number:
+
* inchi key:
−
** [http://enzyme.expasy.org/EC/2.3.1.179 EC-2.3.1.179]
+
** InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M
 +
* common name:
 +
** octanoate
 +
* molecular weight:
 +
** 143.205   
 
* Synonym(s):
 
* 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 Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
* [[RXN0-5098]]
−
** 1 [[Delta4-hexadecenoyl-ACPs]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[MALONYL-ACP]][c] '''=>''' 1 [[ACP]][c] '''+''' 1 [[CARBON-DIOXIDE]][c] '''+''' 1 [[3-oxo-petroselinoyl-ACPs]][c]
+
* [[R223-RXN]]
−
* With common name(s):
+
== Reaction(s) known to produce the compound ==
−
** 1 a (4Z)-hexadec-4-enoyl-[acp][c] '''+''' 1 H+[c] '''+''' 1 a malonyl-[acp][c] '''=>''' 1 a holo-[acyl-carrier protein][c] '''+''' 1 CO2[c] '''+''' 1 a 3-oxo-petroselinoyl-[acp][c]
+
* [[R222-RXN]]
−
 
+
== Reaction(s) of unknown directionality ==
−
== Genes associated with this reaction  ==
+
−
Genes have been associated with this reaction based on different elements listed below.
+
−
* [[CHC_T00009465001_1]]
+
−
** [[pantograph]]-[[galdieria.sulphuraria]]
+
−
== Pathways  ==
+
−
* [[PWY-5367]], petroselinate biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5367 PWY-5367]
+
−
** '''2''' reactions found over '''6''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* [[orthology]]:
+
−
** [[pantograph]]:
+
−
*** [[galdieria.sulphuraria]]
+
 
== External links  ==
 
== External links  ==
−
{{#set: direction=LEFT-TO-RIGHT}}
+
* UM-BBD-CPD : c0047
−
{{#set: ec number=EC-2.3.1.179}}
+
* NCI:
−
{{#set: gene associated=CHC_T00009465001_1}}
+
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=5024 5024]
−
{{#set: in pathway=PWY-5367}}
+
* CAS : 124-07-2
−
{{#set: reconstruction category=orthology}}
+
* METABOLIGHTS : MTBLC25646
−
{{#set: reconstruction tool=pantograph}}
+
* PUBCHEM:
−
{{#set: reconstruction source=galdieria.sulphuraria}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119389 119389]
 +
* HMDB : HMDB00482
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C06423 C06423]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.106634.html 106634]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25646 25646]
 +
* BIGG : octa
 +
{{#set: smiles=CCCCCCCC(=O)[O-]}}
 +
{{#set: inchi key=InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M}}
 +
{{#set: common name=octanoate}}
 +
{{#set: molecular weight=143.205    }}
 +
{{#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: produced by=R222-RXN}}

Revision as of 16:29, 23 May 2018

Metabolite CPD-195

  • smiles:
    • CCCCCCCC(=O)[O-]
  • inchi key:
    • InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M
  • common name:
    • octanoate
  • 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
  • NCI:
  • CAS : 124-07-2
  • METABOLIGHTS : MTBLC25646
  • PUBCHEM:
  • HMDB : HMDB00482
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : octa
"CCCCCCCC(=O)[O-" cannot be used as a page name in this wiki.




Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=CPD-195&oldid=17272"