Difference between revisions of "CHOCOLA A"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=LINOLEOYL-RXN LINOLEOYL-RXN] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CHOCOLA_A CHOCOLA_A] == * smiles: ** CCCCCCCCCCCCCCCC(OCC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)=O...")
 
(One intermediate revision 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=LINOLEOYL-RXN LINOLEOYL-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CHOCOLA_A CHOCOLA_A] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CCCCCCCCCCCCCCCC(OCC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)=O
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/3.1.2 EC-3.1.2]
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** InChIKey=VYGQUTWHTHXGQB-FFHKNEKCSA-N
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* common name:
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** all-trans-retinyl palmitate
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* molecular weight:
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** 524.869   
 
* Synonym(s):
 
* Synonym(s):
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** chocola A
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** aquasol A
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** vitamin A palmitate
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** retinol-palmitate
  
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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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* [[3.1.1.64-RXN]]
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** 1 [[WATER]][c] '''+''' 1 [[CPD-18]][c] '''=>''' 1 [[LINOLEIC_ACID]][c] '''+''' 1 [[CO-A]][c] '''+''' 1 [[PROTON]][c]
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* [[RETINYL-PALMITATE-ESTERASE-RXN]]
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* With common name(s):
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== Reaction(s) known to produce the compound ==
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** 1 H2O[c] '''+''' 1 linoleoyl-CoA[c] '''=>''' 1 linoleate[c] '''+''' 1 coenzyme A[c] '''+''' 1 H+[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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* [[PWY-6917]], vernolate biosynthesis III: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6917 PWY-6917]
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** '''2''' reactions found over '''3''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[gap-filling]]
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** Source: [[gap-filling-gapfilling_solution_with_meneco_draft_medium]]
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*** Tool: [[meneco]]
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**** Comment: [[added for gapfilling]]
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== External links  ==
 
== External links  ==
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* LIGAND-RXN:
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* CAS : 79-81-2
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** [http://www.genome.jp/dbget-bin/www_bget?R08177 R08177]
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* LIPID_MAPS : LMPR01090013
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{{#set: direction=LEFT-TO-RIGHT}}
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* PUBCHEM:
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{{#set: ec number=EC-3.1.2}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280531 5280531]
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{{#set: in pathway=PWY-6917}}
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* HMDB : HMDB03648
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{{#set: reconstruction category=gap-filling}}
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* LIGAND-CPD:
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{{#set: reconstruction source=gap-filling-gapfilling_solution_with_meneco_draft_medium}}
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** [http://www.genome.jp/dbget-bin/www_bget?C02588 C02588]
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{{#set: reconstruction tool=meneco}}
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* CHEMSPIDER:
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{{#set: reconstruction comment=added for gapfilling}}
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** [http://www.chemspider.com/Chemical-Structure.4444162.html 4444162]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17616 17616]
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{{#set: smiles=CCCCCCCCCCCCCCCC(OCC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)=O}}
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{{#set: inchi key=InChIKey=VYGQUTWHTHXGQB-FFHKNEKCSA-N}}
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{{#set: common name=all-trans-retinyl palmitate}}
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{{#set: molecular weight=524.869    }}
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{{#set: common name=chocola A|aquasol A|vitamin A palmitate|retinol-palmitate}}
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{{#set: consumed by=3.1.1.64-RXN|RETINYL-PALMITATE-ESTERASE-RXN}}

Latest revision as of 20:31, 21 March 2018

Metabolite CHOCOLA_A

  • smiles:
    • CCCCCCCCCCCCCCCC(OCC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)=O
  • inchi key:
    • InChIKey=VYGQUTWHTHXGQB-FFHKNEKCSA-N
  • common name:
    • all-trans-retinyl palmitate
  • molecular weight:
    • 524.869
  • Synonym(s):
    • chocola A
    • aquasol A
    • vitamin A palmitate
    • retinol-palmitate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 79-81-2
  • LIPID_MAPS : LMPR01090013
  • PUBCHEM:
  • HMDB : HMDB03648
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:




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