Difference between revisions of "CPD-7279"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN] == * direction: ** REVERSI...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7279 CPD-7279] == * smiles: ** CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O * common name: ** 2-ci...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7279 CPD-7279] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O
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* ec number:
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* common name:
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** [http://enzyme.expasy.org/EC/1.2.1.28 EC-1.2.1.28]
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** 2-cis,4-trans-xanthoxin
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* inchi key:
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** InChIKey=ZTALKMXOHWQNIA-HLJJCREZSA-N
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* molecular weight:
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** 250.337   
 
* Synonym(s):
 
* Synonym(s):
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** xanthoxin
  
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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 [[BENZALDEHYDE]][c] '''+''' 1 [[WATER]][c] '''+''' 1 [[NAD]][c] '''<=>''' 1 [[NADH]][c] '''+''' 2 [[PROTON]][c] '''+''' 1 [[BENZOATE]][c]
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* [[RXN-7973]]
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* With common name(s):
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* [[RXN-7974]]
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** 1 benzaldehyde[c] '''+''' 1 H2O[c] '''+''' 1 NAD+[c] '''<=>''' 1 NADH[c] '''+''' 2 H+[c] '''+''' 1 benzoate[c]
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* [[RXN-698]]
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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-6763]], salicortin biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6763 PWY-6763]
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** '''1''' reactions found over '''11''' reactions in the full pathway
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* [[PWY-1501]], mandelate degradation I: [http://metacyc.org/META/NEW-IMAGE?object=PWY-1501 PWY-1501]
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** '''2''' reactions found over '''5''' reactions in the full pathway
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* [[PWY-6766]], salicin biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6766 PWY-6766]
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** '''1''' reactions found over '''6''' reactions in the full pathway
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* [[TOLUENE-DEG-CATECHOL-PWY]], toluene degradation to benzoate: [http://metacyc.org/META/NEW-IMAGE?object=TOLUENE-DEG-CATECHOL-PWY TOLUENE-DEG-CATECHOL-PWY]
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** '''1''' reactions found over '''3''' reactions in the full pathway
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* [[PWY-6446]], benzoate biosynthesis III (CoA-dependent, non-&beta;-oxidative): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6446 PWY-6446]
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** '''2''' reactions found over '''5''' reactions in the full pathway
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* [[PWY-6444]], benzoate biosynthesis II (CoA-independent, non-&beta;-oxidative): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6444 PWY-6444]
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** '''1''' reactions found over '''4''' 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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== External links  ==
 
== External links  ==
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* LIGAND-RXN:
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* PUBCHEM:
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** [http://www.genome.jp/dbget-bin/www_bget?R01419 R01419]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91820570 91820570]
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* UNIPROT:
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* CHEMSPIDER:
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** [http://www.uniprot.org/uniprot/P43503 P43503]
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** [http://www.chemspider.com/Chemical-Structure.4445403.html 4445403]
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{{#set: direction=REVERSIBLE}}
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* CHEBI:
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{{#set: ec number=EC-1.2.1.28}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32304 32304]
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{{#set: in pathway=PWY-6763|PWY-1501|PWY-6766|TOLUENE-DEG-CATECHOL-PWY|PWY-6446|PWY-6444}}
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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?C13453 C13453]
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{{#set: reconstruction source=annotation-in-silico_annotation}}
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{{#set: smiles=CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: common name=2-cis,4-trans-xanthoxin}}
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{{#set: inchi key=InChIKey=ZTALKMXOHWQNIA-HLJJCREZSA-N}}
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{{#set: molecular weight=250.337    }}
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{{#set: common name=xanthoxin}}
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{{#set: produced by=RXN-7973|RXN-7974|RXN-698}}

Latest revision as of 20:48, 21 March 2018

Metabolite CPD-7279

  • smiles:
    • CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O
  • common name:
    • 2-cis,4-trans-xanthoxin
  • inchi key:
    • InChIKey=ZTALKMXOHWQNIA-HLJJCREZSA-N
  • molecular weight:
    • 250.337
  • Synonym(s):
    • xanthoxin

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




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