Difference between revisions of "CPD-8117"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DODECANOATE DODECANOATE] == * smiles: ** CCCCCCCCCCCC([O-])=O * inchi key: ** InChIKey=POULHZVO...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8117 CPD-8117] == * smiles: ** CCCCCC=CCC=CCC=CCCCCC(=O)[O-] * inchi key: ** InChIKey=VZCCE...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DODECANOATE DODECANOATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8117 CPD-8117] ==
 
* smiles:
 
* smiles:
** CCCCCCCCCCCC([O-])=O
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** CCCCCC=CCC=CCC=CCCCCC(=O)[O-]
 
* inchi key:
 
* inchi key:
** InChIKey=POULHZVOKOAJMA-UHFFFAOYSA-M
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** InChIKey=VZCCETWTMQHEPK-QNEBEIHSSA-M
 
* common name:
 
* common name:
** laurate
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** γ-linolenate
 
* molecular weight:
 
* molecular weight:
** 199.312    
+
** 277.426    
 
* Synonym(s):
 
* Synonym(s):
** n-dodecanoic acid
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** 6Z,9Z,12Z-octadecatrienoic acid
** dodecanoic acid
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** 6Z,9Z,12Z-octadecatrienoate
** lauric acid
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** (6,9,12)-linolenoic acid
** tin II 2-ethylhexanoate
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** (6,9,12)-linolenate
** dodecanoate
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** γ-linolenic acid
 +
** (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-16393]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[R07063]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* NCI:
 
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=5026 5026]
 
* CAS : 143-07-7
 
* BIGG : 40351
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4149208 4149208]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5461003 5461003]
* HMDB : HMDB00638
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* HMDB : HMDB03073
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C02679 C02679]
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** [http://www.genome.jp/dbget-bin/www_bget?C06426 C06426]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.3361474.html 3361474]
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** [http://www.chemspider.com/Chemical-Structure.4574387.html 4574387]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18262 18262]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32391 32391]
* METABOLIGHTS : MTBLC18262
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* METABOLIGHTS : MTBLC32391
{{#set: smiles=CCCCCCCCCCCC([O-])=O}}
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{{#set: smiles=CCCCCC=CCC=CCC=CCCCCC(=O)[O-]}}
{{#set: inchi key=InChIKey=POULHZVOKOAJMA-UHFFFAOYSA-M}}
+
{{#set: inchi key=InChIKey=VZCCETWTMQHEPK-QNEBEIHSSA-M}}
{{#set: common name=laurate}}
+
{{#set: common name=γ-linolenate}}
{{#set: molecular weight=199.312   }}
+
{{#set: molecular weight=277.426   }}
{{#set: common name=n-dodecanoic acid|dodecanoic acid|lauric acid|tin II 2-ethylhexanoate|dodecanoate}}
+
{{#set: common name=6Z,9Z,12Z-octadecatrienoic acid|6Z,9Z,12Z-octadecatrienoate|(6,9,12)-linolenoic acid|(6,9,12)-linolenate|γ-linolenic acid|(6Z,9Z,12Z)-octadeca-6,9,12-trienoate}}
{{#set: consumed by=RXN-16393}}
+
{{#set: produced by=R07063}}

Latest revision as of 19:46, 21 March 2018

Metabolite CPD-8117

  • smiles:
    • CCCCCC=CCC=CCC=CCCCCC(=O)[O-]
  • inchi key:
    • InChIKey=VZCCETWTMQHEPK-QNEBEIHSSA-M
  • common name:
    • γ-linolenate
  • molecular weight:
    • 277.426
  • Synonym(s):
    • 6Z,9Z,12Z-octadecatrienoic acid
    • 6Z,9Z,12Z-octadecatrienoate
    • (6,9,12)-linolenoic acid
    • (6,9,12)-linolenate
    • γ-linolenic acid
    • (6Z,9Z,12Z)-octadeca-6,9,12-trienoate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCC=CCC=CCC=CCCCCC(=O)[O-" cannot be used as a page name in this wiki.