Difference between revisions of "VANILLIN"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN66-318 RXN66-318] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=VANILLIN VANILLIN] == * smiles: ** COC1(C(=CC=C([CH]=O)C=1)O) * common name: ** vanillin * inch...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN66-318 RXN66-318] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=VANILLIN VANILLIN] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** COC1(C(=CC=C([CH]=O)C=1)O)
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* ec number:
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* common name:
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** [http://enzyme.expasy.org/EC/1.1.1.170 EC-1.1.1.170]
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** vanillin
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* inchi key:
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** InChIKey=MWOOGOJBHIARFG-UHFFFAOYSA-N
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* molecular weight:
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** 152.149   
 
* Synonym(s):
 
* Synonym(s):
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** 4-hydroxy-3-methoxybenzaldehyde
  
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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 [[CPD-4702]][c] '''+''' 1 [[NAD-P-OR-NOP]][c] '''=>''' 1 [[CPD-4581]][c] '''+''' 1 [[NADH-P-OR-NOP]][c] '''+''' 1 [[CARBON-DIOXIDE]][c]
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* [[LIGNOSTILBENE-ALPHA-BETA-DIOXYGENASE-RXN]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 4α-carboxy-5α-cholesta-8,24-dien-3β-ol[c] '''+''' 1 NAD(P)+[c] '''=>''' 1 5α-cholesta-8,24-dien-3-one[c] '''+''' 1 NAD(P)H[c] '''+''' 1 CO2[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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* [[Tiso_gene_897]]
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** [[pantograph]]-[[esiliculosus]]
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== Pathways  ==
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* [[PWY66-341]], cholesterol biosynthesis I: [http://metacyc.org/META/NEW-IMAGE?object=PWY66-341 PWY66-341]
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** '''8''' reactions found over '''22''' reactions in the full pathway
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* [[PWY-6074]], zymosterol biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6074 PWY-6074]
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** '''4''' reactions found over '''12''' reactions in the full pathway
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* [[PWY66-4]], cholesterol biosynthesis III (via desmosterol): [http://metacyc.org/META/NEW-IMAGE?object=PWY66-4 PWY66-4]
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** '''7''' reactions found over '''22''' 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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*** [[esiliculosus]]
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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-1.1.1.170}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1183 1183]
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{{#set: gene associated=Tiso_gene_897}}
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* CAS : 121-33-5
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{{#set: in pathway=PWY66-341|PWY-6074|PWY66-4}}
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* NCI:
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{{#set: reconstruction category=orthology}}
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** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=403658 403658]
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{{#set: reconstruction tool=pantograph}}
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* HMDB : HMDB12308
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{{#set: reconstruction source=esiliculosus}}
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00755 C00755]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.13860434.html 13860434]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18346 18346]
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* METABOLIGHTS : MTBLC18346
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{{#set: smiles=COC1(C(=CC=C([CH]=O)C=1)O)}}
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{{#set: common name=vanillin}}
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{{#set: inchi key=InChIKey=MWOOGOJBHIARFG-UHFFFAOYSA-N}}
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{{#set: molecular weight=152.149    }}
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{{#set: common name=4-hydroxy-3-methoxybenzaldehyde}}
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{{#set: produced by=LIGNOSTILBENE-ALPHA-BETA-DIOXYGENASE-RXN}}

Latest revision as of 20:14, 21 March 2018

Metabolite VANILLIN

  • smiles:
    • COC1(C(=CC=C([CH]=O)C=1)O)
  • common name:
    • vanillin
  • inchi key:
    • InChIKey=MWOOGOJBHIARFG-UHFFFAOYSA-N
  • molecular weight:
    • 152.149
  • Synonym(s):
    • 4-hydroxy-3-methoxybenzaldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"COC1(C(=CC=C([CH]=O)C=1)O)" cannot be used as a page name in this wiki.



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