Difference between revisions of "SCOPOLIN"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-16559 RXN-16559] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10546 CPD-10546] == * smiles: ** C1(NC2(C(C=1CC(=O)OC)=CC=CC=2)) * inchi key: ** InChIKey=K...")
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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-16559 RXN-16559] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10546 CPD-10546] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** C1(NC2(C(C=1CC(=O)OC)=CC=CC=2))
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/1.1.1.211 EC-1.1.1.211]
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** InChIKey=KTHADMDGDNYQRX-UHFFFAOYSA-N
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* common name:
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** methyl (indol-3-yl)acetate
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* molecular weight:
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** 189.213   
 
* Synonym(s):
 
* Synonym(s):
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** IAA methyl ester
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** methyl IAA
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** MeIAA
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** indole-3-acetic acid methyl ester
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** methyl 2-(1H-indol-3-yl)acetate
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** methyl indole-3-acetate
  
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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-10711]]
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** 1 [[NAD]][c] '''+''' 1 [[CPD-17814]][c] '''=>''' 1 [[CPD-17815]][c] '''+''' 1 [[NADH]][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 NAD+[c] '''+''' 1 (11Z)-(S)-3-hydroxyhexadec-11-enoyl-CoA[c] '''=>''' 1 (11Z)-3-oxo-hexadecenoyl-CoA[c] '''+''' 1 NADH[c] '''+''' 1 H+[c]
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[PWY-7656]], Spodoptera littoralis pheromone biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7656 PWY-7656]
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** '''4''' reactions found over '''22''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[annotation]]
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** Source: [[annotation-esiliculosus_genome]]
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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: ec number=EC-1.1.1.211}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=74706 74706]
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{{#set: in pathway=PWY-7656}}
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* KNAPSACK : C00000101
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{{#set: reconstruction category=annotation}}
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* HMDB : HMDB29738
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{{#set: reconstruction source=annotation-esiliculosus_genome}}
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* LIGAND-CPD:
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{{#set: reconstruction tool=pathwaytools}}
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** [http://www.genome.jp/dbget-bin/www_bget?C20635 C20635]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.67279.html 67279]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=72782 72782]
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* METABOLIGHTS : MTBLC72782
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{{#set: smiles=C1(NC2(C(C=1CC(=O)OC)=CC=CC=2))}}
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{{#set: inchi key=InChIKey=KTHADMDGDNYQRX-UHFFFAOYSA-N}}
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{{#set: common name=methyl (indol-3-yl)acetate}}
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{{#set: molecular weight=189.213    }}
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{{#set: common name=IAA methyl ester|methyl IAA|MeIAA|indole-3-acetic acid methyl ester|methyl 2-(1H-indol-3-yl)acetate|methyl indole-3-acetate}}
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{{#set: consumed by=RXN-10711}}

Revision as of 13:30, 21 March 2018

Metabolite CPD-10546

  • smiles:
    • C1(NC2(C(C=1CC(=O)OC)=CC=CC=2))
  • inchi key:
    • InChIKey=KTHADMDGDNYQRX-UHFFFAOYSA-N
  • common name:
    • methyl (indol-3-yl)acetate
  • molecular weight:
    • 189.213
  • Synonym(s):
    • IAA methyl ester
    • methyl IAA
    • MeIAA
    • indole-3-acetic acid methyl ester
    • methyl 2-(1H-indol-3-yl)acetate
    • methyl indole-3-acetate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • KNAPSACK : C00000101
  • HMDB : HMDB29738
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC72782




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