Difference between revisions of "CPD-676"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN66-474 RXN66-474] == * direction: ** LEFT-TO-RIGHT * common name: ** straight chain (R)-2-hydrox...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-676 CPD-676] == * smiles: ** C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1) * common name: ** trans-caff...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN66-474 RXN66-474] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-676 CPD-676] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)
 
* common name:
 
* common name:
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** straight chain (R)-2-hydroxy fatty acyl-CoA ligase
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** trans-caffeate
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/6.2.1 EC-6.2.1]
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** InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M
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* molecular weight:
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** 179.152   
 
* Synonym(s):
 
* Synonym(s):
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** trans-caffeic acid
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** 3,4-dihydroxy-trans-cinnamate
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** (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic 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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* [[RXN-1126]]
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** 1 [[ATP]][c] '''+''' 1 [[CO-A]][c] '''+''' 1 [[R2OH-Straight-Chain-234-Sat-FA]][c] '''=>''' 1 [[PPI]][c] '''+''' 1 [[AMP]][c] '''+''' 1 [[R2-2OH-Straight-Chain-234-Sat-FA-CoA]][c]
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* [[RXN-1104]]
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* With common name(s):
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== Reaction(s) known to produce the compound ==
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** 1 ATP[c] '''+''' 1 coenzyme A[c] '''+''' 1 a (2R)-2-hydroxy even numbered straight chain 2,3,4-saturated fatty acid[c] '''=>''' 1 diphosphate[c] '''+''' 1 AMP[c] '''+''' 1 a (R)-2-hydroxy even numbered straight chain 2,3,4-saturated fatty acyl CoA[c]
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== Reaction(s) of unknown directionality ==
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[PWY66-388]], fatty acid α-oxidation III: [http://metacyc.org/META/NEW-IMAGE?object=PWY66-388 PWY66-388]
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** '''4''' reactions found over '''7''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[annotation]]
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** Source: [[annotation-in-silico_annotation]]
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*** Tool: [[pathwaytools]]
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** Source: [[annotation-experimental_annotation]]
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*** Tool: [[pathwaytools]]
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== External links  ==
 
== External links  ==
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{{#set: direction=LEFT-TO-RIGHT}}
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* PUBCHEM:
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{{#set: common name=straight chain (R)-2-hydroxy fatty acyl-CoA ligase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54691412 54691412]
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{{#set: ec number=EC-6.2.1}}
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* HMDB : HMDB03501
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{{#set: in pathway=PWY66-388}}
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* LIGAND-CPD:
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{{#set: reconstruction category=annotation}}
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** [http://www.genome.jp/dbget-bin/www_bget?C01197 C01197]
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{{#set: reconstruction source=annotation-in-silico_annotation|annotation-experimental_annotation}}
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* CHEMSPIDER:
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{{#set: reconstruction tool=pathwaytools}}
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** [http://www.chemspider.com/Chemical-Structure.4450294.html 4450294]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57770 57770]
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* METABOLIGHTS : MTBLC57770
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{{#set: smiles=C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)}}
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{{#set: common name=trans-caffeate}}
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{{#set: inchi key=InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M}}
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{{#set: molecular weight=179.152    }}
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{{#set: common name=trans-caffeic acid|3,4-dihydroxy-trans-cinnamate|(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid}}
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{{#set: consumed by=RXN-1126|RXN-1104}}

Latest revision as of 21:21, 21 March 2018

Metabolite CPD-676

  • smiles:
    • C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)
  • common name:
    • trans-caffeate
  • inchi key:
    • InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M
  • molecular weight:
    • 179.152
  • Synonym(s):
    • trans-caffeic acid
    • 3,4-dihydroxy-trans-cinnamate
    • (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)" cannot be used as a page name in this wiki.



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