Difference between revisions of "Tiso gene 10268"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CIT CIT] == * smiles: ** C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-] * inchi key: ** InChIKey=KRKNYBC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9247 CPD-9247] == * smiles: ** CCCCCCC=CCCCCCCCCCC(=O)[O-] * inchi key: ** InChIKey=UWHZIFQ...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CIT CIT] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9247 CPD-9247] ==
 
* smiles:
 
* smiles:
−
** C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]
+
** CCCCCCC=CCCCCCCCCCC(=O)[O-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-K
+
** InChIKey=UWHZIFQPPBDJPM-FPLPWBNLSA-M
 
* common name:
 
* common name:
−
** citrate
+
** cis-vaccenate
 
* molecular weight:
 
* molecular weight:
−
** 189.101    
+
** 281.457    
 
* Synonym(s):
 
* Synonym(s):
−
** citr
+
** cis-vaccenic acid
−
** cit
+
** (Z)-octadec-11-enoate
−
** citric acid
+
** (Z)-11-octadecenoic acid
−
** 2-hydroxy-1,2,3-propanetricarboxylic acid
+
** cis-11-octadecenoic acid
 +
** cis-octadec-11-enoic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN0-7238]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[CSm]]
 
−
* [[CSx]]
 
−
* [[CITSYN-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-14047]]
 
−
* [[OAACITtm]]
 
−
* [[AKGCITtm]]
 
−
* [[ACONITATEDEHYDR-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 77-92-9
 
−
* METABOLIGHTS : MTBLC16947
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=31348 31348]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5461069 5461069]
−
* KNAPSACK : C00007619
+
−
* HMDB : HMDB00094
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00158 C00158]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.29081.html 29081]
+
** [http://www.chemspider.com/Chemical-Structure.4574428.html 4574428]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16947 16947]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30827 30827]
−
* BIGG : cit
+
{{#set: smiles=CCCCCCC=CCCCCCCCCCC(=O)[O-]}}
−
{{#set: smiles=C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]}}
+
{{#set: inchi key=InChIKey=UWHZIFQPPBDJPM-FPLPWBNLSA-M}}
−
{{#set: inchi key=InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-K}}
+
{{#set: common name=cis-vaccenate}}
−
{{#set: common name=citrate}}
+
{{#set: molecular weight=281.457   }}
−
{{#set: molecular weight=189.101   }}
+
{{#set: common name=cis-vaccenic acid|(Z)-octadec-11-enoate|(Z)-11-octadecenoic acid|cis-11-octadecenoic acid|cis-octadec-11-enoic acid}}
−
{{#set: common name=citr|cit|citric acid|2-hydroxy-1,2,3-propanetricarboxylic acid}}
+
{{#set: consumed by=RXN0-7238}}
−
{{#set: produced by=CSm|CSx|CITSYN-RXN}}
+
−
{{#set: consumed or produced by=RXN-14047|OAACITtm|AKGCITtm|ACONITATEDEHYDR-RXN}}
+

Revision as of 19:32, 18 March 2018

Metabolite CPD-9247

  • smiles:
    • CCCCCCC=CCCCCCCCCCC(=O)[O-]
  • inchi key:
    • InChIKey=UWHZIFQPPBDJPM-FPLPWBNLSA-M
  • common name:
    • cis-vaccenate
  • molecular weight:
    • 281.457
  • Synonym(s):
    • cis-vaccenic acid
    • (Z)-octadec-11-enoate
    • (Z)-11-octadecenoic acid
    • cis-11-octadecenoic acid
    • cis-octadec-11-enoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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



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