Difference between revisions of "CPD-3041"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=THI-P-SYN-RXN THI-P-SYN-RXN] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy...")
(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) * inchi key: *...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=THI-P-SYN-RXN THI-P-SYN-RXN] ==
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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)
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/2.5.1.3 EC-2.5.1.3]
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** InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N
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* common name:
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** isoliquiritigenin
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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 [[THZ-P]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[AMINO-HYDROXYMETHYL-METHYLPYRIMIDINE-PP]][c] '''=>''' 1 [[PPI]][c] '''+''' 1 [[THIAMINE-P]][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 4-methyl-5-(2-phosphooxyethyl)thiazole[c] '''+''' 1 H+[c] '''+''' 1 4-amino-2-methyl-5-(diphosphomethyl)pyrimidine[c] '''=>''' 1 diphosphate[c] '''+''' 1 thiamine phosphate[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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* Gene: [[Ec-06_006870]]
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** Source: [[orthology-aragem]]
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== Pathways  ==
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* [[PWY-6897]], thiamine salvage II: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6897 PWY-6897]
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** '''3''' reactions found over '''5''' reactions in the full pathway
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* [[PWY-6908]], thiamine diphosphate biosynthesis IV (eukaryotes): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6908 PWY-6908]
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** '''2''' reactions found over '''3''' reactions in the full pathway
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* [[PWY-7356]], thiamine salvage IV (yeast): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7356 PWY-7356]
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** '''4''' reactions found over '''7''' reactions in the full pathway
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* [[PWY-7357]], thiamine formation from pyrithiamine and oxythiamine (yeast): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7357 PWY-7357]
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** '''3''' reactions found over '''6''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[orthology]]
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** Source: [[orthology-aragem]]
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*** Tool: [[pantograph]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* DRUGBANK : DB03285
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=22328 22328]
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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=638278 638278]
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** [http://www.genome.jp/dbget-bin/www_bget?R03223 R03223]
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* HMDB : HMDB37316
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* UNIPROT:
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* LIGAND-CPD:
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** [http://www.uniprot.org/uniprot/P41835 P41835]
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** [http://www.genome.jp/dbget-bin/www_bget?C08650 C08650]
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** [http://www.uniprot.org/uniprot/P71350 P71350]
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* CHEMSPIDER:
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** [http://www.uniprot.org/uniprot/O25514 O25514]
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** [http://www.chemspider.com/Chemical-Structure.553829.html 553829]
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** [http://www.uniprot.org/uniprot/Q9PNL3 Q9PNL3]
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* CHEBI:
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** [http://www.uniprot.org/uniprot/Q9JWI2 Q9JWI2]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=310312 310312]
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** [http://www.uniprot.org/uniprot/Q9ZL01 Q9ZL01]
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* METABOLIGHTS : MTBLC310312
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** [http://www.uniprot.org/uniprot/P30137 P30137]
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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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** [http://www.uniprot.org/uniprot/P39594 P39594]
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{{#set: inchi key=InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N}}
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** [http://www.uniprot.org/uniprot/P40386 P40386]
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{{#set: common name=isoliquiritigenin}}
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** [http://www.uniprot.org/uniprot/P72965 P72965]
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{{#set: molecular weight=256.257    }}
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** [http://www.uniprot.org/uniprot/O48881 O48881]
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{{#set: common name=42'4'-trihydroxychalcone}}
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** [http://www.uniprot.org/uniprot/O34294 O34294]
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{{#set: consumed by=RXN-3221}}
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** [http://www.uniprot.org/uniprot/Q9ZBL5 Q9ZBL5]
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{{#set: produced by=RXN-3142}}
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{{#set: direction=LEFT-TO-RIGHT}}
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{{#set: ec number=EC-2.5.1.3}}
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{{#set: gene associated=Ec-06_006870}}
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{{#set: in pathway=PWY-6897|PWY-6908|PWY-7356|PWY-7357}}
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{{#set: reconstruction category=orthology}}
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{{#set: reconstruction source=orthology-aragem}}
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{{#set: reconstruction tool=pantograph}}
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Latest revision as of 19:22, 21 March 2018

Metabolite CPD-3041

  • smiles:
    • C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)
  • inchi key:
    • InChIKey=DXDRHHKMWQZJHT-FPYGCLRLSA-N
  • common name:
    • isoliquiritigenin
  • 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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