Difference between revisions of "PHOSPHOLIPASE-C-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13040 CPD-13040] == * smiles: ** CCCC(OCC(OC(CCC)=O)CO)=O * inchi key: ** InChIKey=AWHAUPZH...")
 
(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:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13040 CPD-13040] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-195 CPD-195] ==
 
* smiles:
 
* smiles:
−
** CCCC(OCC(OC(CCC)=O)CO)=O
+
** CCCCCCCC(=O)[O-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N
+
** InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** 1,2-dibutyrin
+
** octanoate
 
* molecular weight:
 
* molecular weight:
−
** 232.276    
+
** 143.205    
 
* Synonym(s):
 
* Synonym(s):
−
** glycerol 1,2-dibutanoate
+
** octanoate (n-C8:0)
−
** β-dibutyrin
+
** C-8 acid
−
** butanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester
+
** n-caprylic acid
−
** dibutyrylglycerol
+
** 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 consume the compound ==
 +
* [[R223-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-12086]]
+
* [[R222-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 24814-35-5
+
* UM-BBD-CPD : c0047
 +
* NCI:
 +
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=5024 5024]
 +
* CAS : 124-07-2
 +
* BIGG : 48223
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5327007 5327007]
+
** [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:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.8352519.html 8352519]
+
** [http://www.chemspider.com/Chemical-Structure.106634.html 106634]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76537 76537]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25646 25646]
−
{{#set: smiles=CCCC(OCC(OC(CCC)=O)CO)=O}}
+
* METABOLIGHTS : MTBLC25646
−
{{#set: inchi key=InChIKey=AWHAUPZHZYUHOM-VIFPVBQESA-N}}
+
{{#set: smiles=CCCCCCCC(=O)[O-]}}
−
{{#set: common name=1,2-dibutyrin}}
+
{{#set: inchi key=InChIKey=WWZKQHOCKIZLMA-UHFFFAOYSA-M}}
−
{{#set: molecular weight=232.276   }}
+
{{#set: common name=octanoate}}
−
{{#set: common name=glycerol 1,2-dibutanoate|β-dibutyrin|butanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester|dibutyrylglycerol}}
+
{{#set: molecular weight=143.205   }}
−
{{#set: produced by=RXN-12086}}
+
{{#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=R223-RXN}}
 +
{{#set: produced by=R222-RXN}}

Revision as of 21:34, 17 March 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
  • BIGG : 48223
  • PUBCHEM:
  • 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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