Difference between revisions of "CPD-7418"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN 3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN] == * direction: ** REVER...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7418 CPD-7418] == * smiles: ** C(C=CC1(=C(C=CC=C1)O))(=O)[O-] * inchi key: ** InChIKey=PMOW...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN 3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7418 CPD-7418] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** C(C=CC1(=C(C=CC=C1)O))(=O)[O-]
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/2.1.2.11 EC-2.1.2.11]
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** InChIKey=PMOWTIHVNWZYFI-WAYWQWQTSA-M
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* common name:
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** coumarinate
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* molecular weight:
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** 163.152   
 
* Synonym(s):
 
* Synonym(s):
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** coumarinic acid
  
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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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== Reaction(s) known to produce the compound ==
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** 1 [[WATER]][c] '''+''' 1 [[METHYLENE-THF-GLU-N]][c] '''+''' 1 [[2-KETO-ISOVALERATE]][c] '''<=>''' 1 [[THF-GLU-N]][c] '''+''' 1 [[2-DEHYDROPANTOATE]][c]
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* [[RXN-8036]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 H2O[c] '''+''' 1 a 5,10-methylene-tetrahydrofolate[c] '''+''' 1 3-methyl-2-oxobutanoate[c] '''<=>''' 1 a tetrahydrofolate[c] '''+''' 1 2-dehydropantoate[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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* [[CHC_T00001868001_1]]
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** [[pantograph]]-[[galdieria.sulphuraria]]
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== Pathways  ==
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* [[PANTO-PWY]], phosphopantothenate biosynthesis I: [http://metacyc.org/META/NEW-IMAGE?object=PANTO-PWY PANTO-PWY]
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** '''4''' reactions found over '''4''' 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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*** [[galdieria.sulphuraria]]
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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=11824 11824]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54714352 54714352]
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* LIGAND-RXN:
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* HMDB : HMDB41592
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** [http://www.genome.jp/dbget-bin/www_bget?R01226 R01226]
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* LIGAND-CPD:
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* UNIPROT:
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** [http://www.genome.jp/dbget-bin/www_bget?C05838 C05838]
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** [http://www.uniprot.org/uniprot/Q9V0E1 Q9V0E1]
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* CHEMSPIDER:
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** [http://www.uniprot.org/uniprot/Q9JUY0 Q9JUY0]
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** [http://www.chemspider.com/Chemical-Structure.20118034.html 20118034]
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** [http://www.uniprot.org/uniprot/P31057 P31057]
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* CHEBI:
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** [http://www.uniprot.org/uniprot/Q9PIK1 Q9PIK1]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=47921 47921]
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** [http://www.uniprot.org/uniprot/P38122 P38122]
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* METABOLIGHTS : MTBLC47921
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** [http://www.uniprot.org/uniprot/Q09672 Q09672]
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{{#set: smiles=C(C=CC1(=C(C=CC=C1)O))(=O)[O-]}}
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** [http://www.uniprot.org/uniprot/P52997 P52997]
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{{#set: inchi key=InChIKey=PMOWTIHVNWZYFI-WAYWQWQTSA-M}}
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** [http://www.uniprot.org/uniprot/Q9X712 Q9X712]
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{{#set: common name=coumarinate}}
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** [http://www.uniprot.org/uniprot/Q9Y7B6 Q9Y7B6]
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{{#set: molecular weight=163.152    }}
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** [http://www.uniprot.org/uniprot/Q9L7B2 Q9L7B2]
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{{#set: common name=coumarinic acid}}
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** [http://www.uniprot.org/uniprot/Q9RKS2 Q9RKS2]
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{{#set: produced by=RXN-8036}}
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** [http://www.uniprot.org/uniprot/Q9RLE2 Q9RLE2]
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{{#set: direction=REVERSIBLE}}
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{{#set: ec number=EC-2.1.2.11}}
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{{#set: gene associated=CHC_T00001868001_1}}
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{{#set: in pathway=PANTO-PWY}}
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{{#set: reconstruction category=orthology}}
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{{#set: reconstruction tool=pantograph}}
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{{#set: reconstruction source=galdieria.sulphuraria}}
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Revision as of 15:06, 23 May 2018

Metabolite CPD-7418

  • smiles:
    • C(C=CC1(=C(C=CC=C1)O))(=O)[O-]
  • inchi key:
    • InChIKey=PMOWTIHVNWZYFI-WAYWQWQTSA-M
  • common name:
    • coumarinate
  • molecular weight:
    • 163.152
  • Synonym(s):
    • coumarinic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(C=CC1(=C(C=CC=C1)O))(=O)[O-" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=CPD-7418&oldid=13272"