Difference between revisions of "PWY66-368"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3188 CPD-3188] == * smiles: ** C1(=O)(CC[CH](N(CO)1)C2(C=NC=CC=2)) * inchi key: ** InChIKey...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LINOLENIC_ACID LINOLENIC_ACID] == * smiles: ** CCC=CCC=CCC=CCCCCCCCC(=O)[O-] * inchi key: ** In...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3188 CPD-3188] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=LINOLENIC_ACID LINOLENIC_ACID] ==
 
* smiles:
 
* smiles:
** C1(=O)(CC[CH](N(CO)1)C2(C=NC=CC=2))
+
** CCC=CCC=CCC=CCCCCCCCC(=O)[O-]
 
* inchi key:
 
* inchi key:
** InChIKey=GQUFOBHEPVFQMD-VIFPVBQESA-N
+
** InChIKey=DTOSIQBPPRVQHS-PDBXOOCHSA-M
 
* common name:
 
* common name:
** N'-hydroxymethyl-norcotinine
+
** α-linolenate
 
* molecular weight:
 
* molecular weight:
** 192.217    
+
** 277.426    
 
* Synonym(s):
 
* Synonym(s):
 +
** (9,12,15)-linolenic acid
 +
** linolenate
 +
** 9Z,12Z,15Z-octadecatrienoate
 +
** 9Z,12Z,15Z-octadecatrienoic acid
 +
** (9,12,15)-linolenate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-1321]]
 +
* [[LINOLENOYL-RXN]]
 +
* [[LNLNCACOAL]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN66-169]]
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* [[FACOAE1839Z12Z15Z]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 463-40-1
 +
* Wikipedia : Alpha-Linolenic_acid
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201488 25201488]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5461005 5461005]
* HMDB : HMDB01324
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* HMDB : HMDB01388
{{#set: smiles=C1(=O)(CC[CH](N(CO)1)C2(C=NC=CC=2))}}
+
* LIGAND-CPD:
{{#set: inchi key=InChIKey=GQUFOBHEPVFQMD-VIFPVBQESA-N}}
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** [http://www.genome.jp/dbget-bin/www_bget?C06427 C06427]
{{#set: common name=N'-hydroxymethyl-norcotinine}}
+
* CHEMSPIDER:
{{#set: molecular weight=192.217   }}
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** [http://www.chemspider.com/Chemical-Structure.4574388.html 4574388]
{{#set: produced by=RXN66-169}}
+
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32387 32387]
 +
* METABOLIGHTS : MTBLC32387
 +
{{#set: smiles=CCC=CCC=CCC=CCCCCCCCC(=O)[O-]}}
 +
{{#set: inchi key=InChIKey=DTOSIQBPPRVQHS-PDBXOOCHSA-M}}
 +
{{#set: common name=α-linolenate}}
 +
{{#set: molecular weight=277.426   }}
 +
{{#set: common name=(9,12,15)-linolenic acid|linolenate|9Z,12Z,15Z-octadecatrienoate|9Z,12Z,15Z-octadecatrienoic acid|(9,12,15)-linolenate}}
 +
{{#set: consumed by=RXN-1321|LINOLENOYL-RXN|LNLNCACOAL}}
 +
{{#set: produced by=FACOAE1839Z12Z15Z}}

Revision as of 18:08, 18 March 2018

Metabolite LINOLENIC_ACID

  • smiles:
    • CCC=CCC=CCC=CCCCCCCCC(=O)[O-]
  • inchi key:
    • InChIKey=DTOSIQBPPRVQHS-PDBXOOCHSA-M
  • common name:
    • α-linolenate
  • molecular weight:
    • 277.426
  • Synonym(s):
    • (9,12,15)-linolenic acid
    • linolenate
    • 9Z,12Z,15Z-octadecatrienoate
    • 9Z,12Z,15Z-octadecatrienoic acid
    • (9,12,15)-linolenate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 463-40-1
  • Wikipedia : Alpha-Linolenic_acid
  • PUBCHEM:
  • HMDB : HMDB01388
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC32387
"CCC=CCC=CCC=CCCCCCCCC(=O)[O-" cannot be used as a page name in this wiki.