Difference between revisions of "CPD-3041"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-11479 RXN-11479] == * direction: ** LEFT-TO-RIGHT * common name: ** 3-oxoacyl-synthase * ec num...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3041 CPD-3041] == * smiles: ** C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2) * common name:...")
 
(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-11479 RXN-11479] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3041 CPD-3041] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)
 
* common name:
 
* common name:
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** 3-oxoacyl-synthase
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** isoliquiritigenin
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/2.3.1.41 EC-2.3.1.41]
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** InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N
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* molecular weight:
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** 256.257   
 
* Synonym(s):
 
* Synonym(s):
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** 42'4'-trihydroxychalcone
  
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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-3221]]
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** 1 [[Glutaryl-ACP-methyl-esters]][c] '''+''' 1 [[MALONYL-ACP]][c] '''+''' 1 [[PROTON]][c] '''=>''' 1 [[ACP]][c] '''+''' 1 [[3-Ketopimeloyl-ACP-methyl-esters]][c] '''+''' 1 [[CARBON-DIOXIDE]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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* [[RXN-3142]]
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** 1 a glutaryl-[acp] methyl ester[c] '''+''' 1 a malonyl-[acp][c] '''+''' 1 H+[c] '''=>''' 1 a holo-[acyl-carrier protein][c] '''+''' 1 a 3-oxo-pimeloyl-[acp] methyl ester[c] '''+''' 1 CO2[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_19302]]
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** [[pantograph]]-[[esiliculosus]]
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* [[Tiso_gene_14485]]
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** [[pantograph]]-[[esiliculosus]]
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* [[Tiso_gene_5939]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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** EXPERIMENTAL_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_15991]]
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** [[pantograph]]-[[esiliculosus]]
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== Pathways  ==
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* [[PWY-6519]], 8-amino-7-oxononanoate biosynthesis I: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6519 PWY-6519]
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** '''9''' reactions found over '''11''' 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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*** [[experimental_annotation]]
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*** [[in-silico_annotation]]
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== External links  ==
 
== External links  ==
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{{#set: direction=LEFT-TO-RIGHT}}
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* DRUGBANK : DB03285
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{{#set: common name=3-oxoacyl-synthase}}
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* PUBCHEM:
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{{#set: ec number=EC-2.3.1.41}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=638278 638278]
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{{#set: gene associated=Tiso_gene_19302|Tiso_gene_14485|Tiso_gene_5939|Tiso_gene_15991}}
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* HMDB : HMDB37316
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{{#set: in pathway=PWY-6519}}
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* LIGAND-CPD:
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{{#set: reconstruction category=orthology}}
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** [http://www.genome.jp/dbget-bin/www_bget?C08650 C08650]
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{{#set: reconstruction tool=pantograph}}
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* CHEMSPIDER:
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{{#set: reconstruction source=esiliculosus}}
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** [http://www.chemspider.com/Chemical-Structure.553829.html 553829]
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{{#set: reconstruction category=annotation}}
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* CHEBI:
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{{#set: reconstruction tool=pathwaytools}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=310312 310312]
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{{#set: reconstruction source=experimental_annotation|in-silico_annotation}}
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* METABOLIGHTS : MTBLC310312
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{{#set: smiles=C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)}}
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{{#set: common name=isoliquiritigenin}}
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{{#set: inchi key=InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N}}
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{{#set: molecular weight=256.257    }}
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{{#set: common name=42'4'-trihydroxychalcone}}
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{{#set: consumed by=RXN-3221}}
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{{#set: produced by=RXN-3142}}

Latest revision as of 20:37, 21 March 2018

Metabolite CPD-3041

  • smiles:
    • C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)
  • common name:
    • isoliquiritigenin
  • inchi key:
    • InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N
  • molecular weight:
    • 256.257
  • Synonym(s):
    • 42'4'-trihydroxychalcone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • DRUGBANK : DB03285
  • PUBCHEM:
  • HMDB : HMDB37316
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC310312




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