Difference between revisions of "CPD-8117"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11241 CPD-11241] == * smiles: ** C([O-])(=O)C1(=CC(O)C(O)C(O1)OC2(C(O)C(C(O)OC(C([O-])=O)2)...")
(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...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11241 CPD-11241] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8117 CPD-8117] ==
 
* smiles:
 
* smiles:
−
** C([O-])(=O)C1(=CC(O)C(O)C(O1)OC2(C(O)C(C(O)OC(C([O-])=O)2)O))
+
** CCCCCC=CCC=CCC=CCCCCC(=O)[O-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=LLVVMXFNKAHVEZ-GAWNPARCSA-L
+
** InChIKey=VZCCETWTMQHEPK-QNEBEIHSSA-M
 
* common name:
 
* common name:
−
** 4-(4-deoxy-α-D-galact-4-enuronosyl)-D-galacturonate
+
** γ-linolenate
 
* molecular weight:
 
* molecular weight:
−
** 350.235    
+
** 277.426    
 
* Synonym(s):
 
* Synonym(s):
−
** 4-(4-deoxy-β-D-gluc-4-enuronosyl)-D-galacturonate
+
** 6Z,9Z,12Z-octadecatrienoic acid
−
** 4-(4-deoxy-β-D-gluc-4-enuronosyl)-galacturonate
+
** 6Z,9Z,12Z-octadecatrienoate
−
** 4-(4-deoxy-α-D-gluc-4-enuronosyl)-D-galacturonate
+
** (6,9,12)-linolenoic acid
−
** unsaturated digalacturonate
+
** (6,9,12)-linolenate
−
** 4-(4-deoxy-α-D-gluc-4-enosyluronic acid)-D-galacturonic acid
+
** γ-linolenic acid
−
** 4-O-(4-deoxy-β-L-threo-hex-4-enopyranosyluronic acid)-D-galactopyranuronic acid
+
** (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-14897]]
+
* [[R07063]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878600 46878600]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5461003 5461003]
−
* CHEBI:
+
* HMDB : HMDB03073
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60189 60189]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C04733 C04733]
+
** [http://www.genome.jp/dbget-bin/www_bget?C06426 C06426]
−
** [http://www.genome.jp/dbget-bin/www_bget?C06118 C06118]
+
* CHEMSPIDER:
−
{{#set: smiles=C([O-])(=O)C1(=CC(O)C(O)C(O1)OC2(C(O)C(C(O)OC(C([O-])=O)2)O))}}
+
** [http://www.chemspider.com/Chemical-Structure.4574387.html 4574387]
−
{{#set: inchi key=InChIKey=LLVVMXFNKAHVEZ-GAWNPARCSA-L}}
+
* CHEBI:
−
{{#set: common name=4-(4-deoxy-α-D-galact-4-enuronosyl)-D-galacturonate}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32391 32391]
−
{{#set: molecular weight=350.235   }}
+
* METABOLIGHTS : MTBLC32391
−
{{#set: common name=4-(4-deoxy-β-D-gluc-4-enuronosyl)-D-galacturonate|4-(4-deoxy-β-D-gluc-4-enuronosyl)-galacturonate|4-(4-deoxy-α-D-gluc-4-enuronosyl)-D-galacturonate|unsaturated digalacturonate|4-(4-deoxy-α-D-gluc-4-enosyluronic acid)-D-galacturonic acid|4-O-(4-deoxy-β-L-threo-hex-4-enopyranosyluronic acid)-D-galactopyranuronic acid}}
+
{{#set: smiles=CCCCCC=CCC=CCC=CCCCCC(=O)[O-]}}
−
{{#set: produced by=RXN-14897}}
+
{{#set: inchi key=InChIKey=VZCCETWTMQHEPK-QNEBEIHSSA-M}}
 +
{{#set: common name=γ-linolenate}}
 +
{{#set: molecular weight=277.426   }}
 +
{{#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: 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.



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