Difference between revisions of "CPD-12724"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-1104 RXN-1104] == * direction: ** LEFT-TO-RIGHT * common name: ** caffeate_o-methyltransferase...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12724 CPD-12724] == * smiles: ** C1(C=CC(=CC=1)C2(=CC(=O)C3(=C(O2)C=C(O)C(O)=C(O)3))) * com...")
 
(3 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=RXN-1104 RXN-1104] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12724 CPD-12724] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** C1(C=CC(=CC=1)C2(=CC(=O)C3(=C(O2)C=C(O)C(O)=C(O)3)))
 
* common name:
 
* common name:
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** caffeate_o-methyltransferase
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** baicalein
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/2.1.1.68 EC-2.1.1.68]
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** InChIKey=FXNFHKRTJBSTCS-UHFFFAOYSA-N
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* molecular weight:
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** 270.241   
 
* Synonym(s):
 
* Synonym(s):
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** 5,6,7-trihydroxyflavone
  
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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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* [[RXN-14240]]
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** 1 [[S-ADENOSYLMETHIONINE]][c] '''+''' 1 [[CPD-676]][c] '''=>''' 1 [[ADENOSYL-HOMO-CYS]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[FERULIC-ACID]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 S-adenosyl-L-methionine[c] '''+''' 1 trans-caffeate[c] '''=>''' 1 S-adenosyl-L-homocysteine[c] '''+''' 1 H+[c] '''+''' 1 ferulate[c]
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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_18971]]
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** IN-SILICO_ANNOTATION
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***AUTOMATED-NAME-MATCH
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* [[Tiso_gene_18257]]
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** [[pantograph]]-[[esiliculosus]]
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== Pathways  ==
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* [[PWY-2181]], free phenylpropanoid acid biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-2181 PWY-2181]
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** '''3''' reactions found over '''4''' reactions in the full pathway
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* [[PWY-1121]], suberin monomers biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-1121 PWY-1121]
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** '''9''' reactions found over '''19''' reactions in the full pathway
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* [[PWY-7498]], phenylpropanoids methylation (ice plant): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7498 PWY-7498]
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** '''2''' reactions found over '''10''' reactions in the full pathway
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* [[PWY-7186]], superpathway of scopolin and esculin biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7186 PWY-7186]
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** '''2''' reactions found over '''14''' 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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* LIPID_MAPS : LMPK12111095
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=20225 20225]
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* PUBCHEM:
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* LIGAND-RXN:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5281605 5281605]
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** [http://www.genome.jp/dbget-bin/www_bget?R03366 R03366]
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* HMDB : HMDB31991
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* UNIPROT:
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* LIGAND-CPD:
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** [http://www.uniprot.org/uniprot/Q41086 Q41086]
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** [http://www.genome.jp/dbget-bin/www_bget?C10023 C10023]
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** [http://www.uniprot.org/uniprot/P28002 P28002]
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* CHEMSPIDER:
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** [http://www.uniprot.org/uniprot/Q00763 Q00763]
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** [http://www.chemspider.com/Chemical-Structure.4444924.html 4444924]
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{{#set: direction=LEFT-TO-RIGHT}}
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* CHEBI:
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{{#set: common name=caffeate_o-methyltransferase}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=2979 2979]
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{{#set: ec number=EC-2.1.1.68}}
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* METABOLIGHTS : MTBLC2979
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{{#set: gene associated=Tiso_gene_18971|Tiso_gene_18257}}
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{{#set: smiles=C1(C=CC(=CC=1)C2(=CC(=O)C3(=C(O2)C=C(O)C(O)=C(O)3)))}}
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{{#set: in pathway=PWY-2181|PWY-1121|PWY-7498|PWY-7186}}
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{{#set: common name=baicalein}}
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{{#set: reconstruction category=orthology}}
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{{#set: inchi key=InChIKey=FXNFHKRTJBSTCS-UHFFFAOYSA-N}}
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{{#set: reconstruction tool=pantograph}}
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{{#set: molecular weight=270.241    }}
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{{#set: reconstruction source=esiliculosus}}
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{{#set: common name=5,6,7-trihydroxyflavone}}
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{{#set: reconstruction category=annotation}}
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{{#set: consumed by=RXN-14240}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: reconstruction source=in-silico_annotation}}
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Latest revision as of 21:02, 21 March 2018

Metabolite CPD-12724

  • smiles:
    • C1(C=CC(=CC=1)C2(=CC(=O)C3(=C(O2)C=C(O)C(O)=C(O)3)))
  • common name:
    • baicalein
  • inchi key:
    • InChIKey=FXNFHKRTJBSTCS-UHFFFAOYSA-N
  • molecular weight:
    • 270.241
  • Synonym(s):
    • 5,6,7-trihydroxyflavone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIPID_MAPS : LMPK12111095
  • PUBCHEM:
  • HMDB : HMDB31991
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC2979




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