Difference between revisions of "CPD-6947"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=HOMOGENTISATE-12-DIOXYGENASE-RXN HOMOGENTISATE-12-DIOXYGENASE-RXN] == * direction: ** LEFT-TO-RIGHT...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6947 CPD-6947] == * smiles: ** CC(CCCC(CCCC(C)CCCC(=CCC2(=CC(=O)C1(C(=CC=CC=1)C(=O)2)))C)C)...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=HOMOGENTISATE-12-DIOXYGENASE-RXN HOMOGENTISATE-12-DIOXYGENASE-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6947 CPD-6947] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CC(CCCC(CCCC(C)CCCC(=CCC2(=CC(=O)C1(C(=CC=CC=1)C(=O)2)))C)C)C
 
* common name:
 
* common name:
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** homogentisate_-dioxygenase
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** demethylphylloquinone
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/1.13.11.5 EC-1.13.11.5]
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** InChIKey=UDYIPZFWVJJQJF-KQPZCCJBSA-N
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* molecular weight:
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** 436.676   
 
* Synonym(s):
 
* Synonym(s):
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** 2-phytyl-1,4-naphtoquinone
  
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== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
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* With identifiers:
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* [[R06859]]
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** 1 [[HOMOGENTISATE]][c] '''+''' 1 [[OXYGEN-MOLECULE]][c] '''=>''' 1 [[PROTON]][c] '''+''' 1 [[4-MALEYL-ACETOACETATE]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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* [[R06858]]
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** 1 homogentisate[c] '''+''' 1 oxygen[c] '''=>''' 1 H+[c] '''+''' 1 4-maleyl-acetoacetate[c]
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== Reaction(s) of unknown directionality ==
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== Genes associated with this reaction  ==
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Genes have been associated with this reaction based on different elements listed below.
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* [[Tiso_gene_20095]]
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** IN-SILICO_ANNOTATION
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***AUTOMATED-NAME-MATCH
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** [[pantograph]]-[[esiliculosus]]
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== Pathways  ==
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* [[TYRFUMCAT-PWY]], L-tyrosine degradation I: [http://metacyc.org/META/NEW-IMAGE?object=TYRFUMCAT-PWY TYRFUMCAT-PWY]
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** '''4''' reactions found over '''5''' reactions in the full pathway
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== Reconstruction information  ==
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* [[orthology]]:
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** [[pantograph]]:
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*** [[esiliculosus]]
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[in-silico_annotation]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* PUBCHEM:
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=15449 15449]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=56927684 56927684]
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* LIGAND-RXN:
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* CHEMSPIDER:
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** [http://www.genome.jp/dbget-bin/www_bget?R02519 R02519]
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** [http://www.chemspider.com/Chemical-Structure.10128305.html 10128305]
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* UNIPROT:
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* HMDB : HMDB04649
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** [http://www.uniprot.org/uniprot/Q9Y041 Q9Y041]
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* CHEBI:
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{{#set: direction=LEFT-TO-RIGHT}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31087 31087]
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{{#set: common name=homogentisate_-dioxygenase}}
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* LIGAND-CPD:
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{{#set: ec number=EC-1.13.11.5}}
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** [http://www.genome.jp/dbget-bin/www_bget?C13309 C13309]
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{{#set: gene associated=Tiso_gene_20095}}
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{{#set: smiles=CC(CCCC(CCCC(C)CCCC(=CCC2(=CC(=O)C1(C(=CC=CC=1)C(=O)2)))C)C)C}}
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{{#set: in pathway=TYRFUMCAT-PWY}}
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{{#set: common name=demethylphylloquinone}}
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{{#set: reconstruction category=orthology}}
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{{#set: inchi key=InChIKey=UDYIPZFWVJJQJF-KQPZCCJBSA-N}}
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{{#set: reconstruction tool=pantograph}}
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{{#set: molecular weight=436.676    }}
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{{#set: reconstruction source=esiliculosus}}
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{{#set: common name=2-phytyl-1,4-naphtoquinone}}
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{{#set: reconstruction category=annotation}}
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{{#set: consumed by=R06859}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: produced by=R06858}}
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{{#set: reconstruction source=in-silico_annotation}}
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Latest revision as of 19:07, 21 March 2018

Metabolite CPD-6947

  • smiles:
    • CC(CCCC(CCCC(C)CCCC(=CCC2(=CC(=O)C1(C(=CC=CC=1)C(=O)2)))C)C)C
  • common name:
    • demethylphylloquinone
  • inchi key:
    • InChIKey=UDYIPZFWVJJQJF-KQPZCCJBSA-N
  • molecular weight:
    • 436.676
  • Synonym(s):
    • 2-phytyl-1,4-naphtoquinone

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/tisogem/index.php?title=CPD-6947&oldid=39625"