Difference between revisions of "RXN-12978"

From metabolic_network
Jump to: navigation, search
(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=OCTAPRENYL-METHYL-METHOXY-BENZQ OCTAPRENYL-METHYL-METHOXY-BENZQ] == * smiles: ** CC(=CCCC(=CCCC...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CIT CIT] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OCTAPRENYL-METHYL-METHOXY-BENZQ OCTAPRENYL-METHYL-METHOXY-BENZQ] ==
 
* smiles:
 
* smiles:
−
** C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]
+
** CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(=C1C)O)O))C)C)C)C)C)C)C)C
 
* inchi key:
 
* inchi key:
−
** InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-K
+
** InChIKey=HDSGDGSLNMIMKU-KFSSTAEESA-N
 
* common name:
 
* common name:
−
** citrate
+
** 6-methoxy-3-methyl-2-all-trans-octaprenyl-1,4-benzoquinol
 
* molecular weight:
 
* molecular weight:
−
** 189.101    
+
** 699.111    
 
* Synonym(s):
 
* Synonym(s):
−
** citr
+
** 2-octaprenyl-3-methyl-6-methoxy-1,4-benzenediol
−
** cit
+
** 6-methoxy-3-methyl-2-octaprenylquinol
−
** citric acid
+
** 2-octaprenyl-3-methyl-6-methoxyhydroquinone
−
** 2-hydroxy-1,2,3-propanetricarboxylic acid
+
** 2-octaprenyl-3-methyl-6-methoxyquinol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[ATP-CITRATE-PRO-S--LYASE-RXN]]
 
−
* [[biomass_rxn]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[CITSYN-RXN]]
+
* [[2-OCTAPRENYL-METHOXY-BENZOQ-METH-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-14047]]
 
−
* [[ACONITATEDEHYDR-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 77-92-9
 
−
* BIGG : 34080
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=31348 31348]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=49852330 49852330]
−
* KNAPSACK : C00007619
+
−
* HMDB : HMDB00094
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00158 C00158]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.29081.html 29081]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16947 16947]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60656 60656]
−
* METABOLIGHTS : MTBLC16947
+
* BIGG : 1446539
−
{{#set: smiles=C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]}}
+
{{#set: smiles=CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(=C1C)O)O))C)C)C)C)C)C)C)C}}
−
{{#set: inchi key=InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-K}}
+
{{#set: inchi key=InChIKey=HDSGDGSLNMIMKU-KFSSTAEESA-N}}
−
{{#set: common name=citrate}}
+
{{#set: common name=6-methoxy-3-methyl-2-all-trans-octaprenyl-1,4-benzoquinol}}
−
{{#set: molecular weight=189.101   }}
+
{{#set: molecular weight=699.111   }}
−
{{#set: common name=citr|cit|citric acid|2-hydroxy-1,2,3-propanetricarboxylic acid}}
+
{{#set: common name=2-octaprenyl-3-methyl-6-methoxy-1,4-benzenediol|6-methoxy-3-methyl-2-octaprenylquinol|2-octaprenyl-3-methyl-6-methoxyhydroquinone|2-octaprenyl-3-methyl-6-methoxyquinol}}
−
{{#set: consumed by=ATP-CITRATE-PRO-S--LYASE-RXN|biomass_rxn}}
+
{{#set: produced by=2-OCTAPRENYL-METHOXY-BENZOQ-METH-RXN}}
−
{{#set: produced by=CITSYN-RXN}}
+
−
{{#set: consumed or produced by=RXN-14047|ACONITATEDEHYDR-RXN}}
+

Revision as of 21:16, 17 March 2018

Metabolite OCTAPRENYL-METHYL-METHOXY-BENZQ

  • smiles:
    • CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(=C1C)O)O))C)C)C)C)C)C)C)C
  • inchi key:
    • InChIKey=HDSGDGSLNMIMKU-KFSSTAEESA-N
  • common name:
    • 6-methoxy-3-methyl-2-all-trans-octaprenyl-1,4-benzoquinol
  • molecular weight:
    • 699.111
  • Synonym(s):
    • 2-octaprenyl-3-methyl-6-methoxy-1,4-benzenediol
    • 6-methoxy-3-methyl-2-octaprenylquinol
    • 2-octaprenyl-3-methyl-6-methoxyhydroquinone
    • 2-octaprenyl-3-methyl-6-methoxyquinol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=RXN-12978&oldid=12362"