Difference between revisions of "CPD-6442"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-15117 RXN-15117] == * direction: ** REVERSIBLE * ec number: ** [http://enzyme.expasy.org/EC/2.4...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6442 CPD-6442] == * smiles: ** COC(C1(C=CC=CC=1O))=O * inchi key: ** InChIKey=OSWPMRLSEDHDF...")
 
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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-15117 RXN-15117] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6442 CPD-6442] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** COC(C1(C=CC=CC=1O))=O
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/2.4.1.315 EC-2.4.1.315]
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** InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N
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* common name:
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** 1-O-methylsalicylate
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* molecular weight:
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** 152.149   
 
* Synonym(s):
 
* Synonym(s):
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** salicylate methyl ester
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** methyl salicylate
  
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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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* [[RXNQT-4366]]
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** 1 [[CPD-168]][c] '''+''' 1 [[CPD-12575]][c] '''<=>''' 1 [[UDP]][c] '''+''' 1 [[diacyl-3-O-glucl-1-6-gluc-sn-glycerol]][c] '''+''' 1 [[PROTON]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 a 1,2-diacyl-3-O-(&beta;-D-glucopyranosyl)-sn-glycerol[c] '''+''' 1 UDP-&alpha;-D-glucose[c] '''<=>''' 1 UDP[c] '''+''' 1 a 1,2-diacyl-3-O-(&beta;-D-glucopyranosyl-(1->6)-O-&beta;-D-glucopyranosyl)-sn-glycerol[c] '''+''' 1 H+[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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* [[Ec-22_000030]]
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** [[pantograph]]-[[aragem]]
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* [[Ec-18_002280]]
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** [[pantograph]]-[[aragem]]
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* [[Ec-11_005220]]
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** [[pantograph]]-[[aragem]]
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* [[Ec-04_002960]]
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** [[pantograph]]-[[aragem]]
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* [[Ec-00_005450]]
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** [[pantograph]]-[[aragem]]
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* [[Ec-17_003500]]
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** [[pantograph]]-[[aragem]]
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* [[Ec-17_001510]]
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** [[pantograph]]-[[aragem]]
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* [[Ec-09_003380]]
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** [[pantograph]]-[[aragem]]
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* [[Ec-03_004420]]
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** [[pantograph]]-[[aragem]]
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* [[Ec-06_009840]]
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** [[pantograph]]-[[aragem]]
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* [[Ec-28_002440]]
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** [[pantograph]]-[[aragem]]
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* [[Ec-10_004300]]
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** [[pantograph]]-[[aragem]]
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* [[Ec-03_005030]]
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** [[pantograph]]-[[aragem]]
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== Pathways  ==
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== Reconstruction information  ==
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* [[orthology]]:
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** [[pantograph]]:
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*** [[aragem]]
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== External links  ==
 
== External links  ==
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{{#set: direction=REVERSIBLE}}
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* PUBCHEM:
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{{#set: ec number=EC-2.4.1.315}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4133 4133]
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{{#set: gene associated=Ec-22_000030|Ec-18_002280|Ec-11_005220|Ec-04_002960|Ec-00_005450|Ec-17_003500|Ec-17_001510|Ec-09_003380|Ec-03_004420|Ec-06_009840|Ec-28_002440|Ec-10_004300|Ec-03_005030}}
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* HMDB : HMDB34172
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{{#set: in pathway=}}
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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?C12305 C12305]
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{{#set: reconstruction tool=pantograph}}
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* CHEMSPIDER:
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{{#set: reconstruction source=aragem}}
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** [http://www.chemspider.com/Chemical-Structure.13848808.html 13848808]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31832 31832]
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* METABOLIGHTS : MTBLC31832
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{{#set: smiles=COC(C1(C=CC=CC=1O))=O}}
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{{#set: inchi key=InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N}}
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{{#set: common name=1-O-methylsalicylate}}
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{{#set: molecular weight=152.149    }}
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{{#set: common name=salicylate methyl ester|methyl salicylate}}
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{{#set: consumed by=RXNQT-4366}}

Latest revision as of 19:53, 21 March 2018

Metabolite CPD-6442

  • smiles:
    • COC(C1(C=CC=CC=1O))=O
  • inchi key:
    • InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N
  • common name:
    • 1-O-methylsalicylate
  • molecular weight:
    • 152.149
  • Synonym(s):
    • salicylate methyl ester
    • methyl salicylate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=CPD-6442&oldid=30027"