Difference between revisions of "RXN-12978"

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

Revision as of 22:16, 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"