Difference between revisions of "RXN-10917"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DEHYDROQUINATE DEHYDROQUINATE] == * smiles: ** C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1) * inchi key:...")
 
 
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[[Category:Metabolite]]
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[[Category:Reaction]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DEHYDROQUINATE DEHYDROQUINATE] ==
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-10917 RXN-10917] ==
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* smiles:
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* direction:
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** C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)
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** LEFT-TO-RIGHT
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* inchi key:
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** InChIKey=WVMWZWGZRAXUBK-SYTVJDICSA-M
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* common name:
 
* common name:
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** 3-dehydroquinate
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** aldehyde dehydrogenase, (NAD) activity
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* molecular weight:
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* ec number:
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** 189.144   
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** [http://enzyme.expasy.org/EC/1.2.1.3 EC-1.2.1.3]
 
* Synonym(s):
 
* Synonym(s):
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** 3-dehydroquinic acid
 
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** 5-dehydroquinic acid
 
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** 5-dehydroquinate
 
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** 5-de-H-quinate
 
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** rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylate
 
  
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== Reaction(s) known to consume the compound ==
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== Reaction Formula ==
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== Reaction(s) known to produce the compound ==
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* With identifiers:
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* [[3-DEHYDROQUINATE-SYNTHASE-RXN]]
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** 1 [[CPD-11876]][c] '''+''' 1 [[NAD]][c] '''+''' 1 [[WATER]][c] '''=>''' 1 [[NADH]][c] '''+''' 2 [[PROTON]][c] '''+''' 1 [[VANILLYL_MANDELATE]][c]
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== Reaction(s) of unknown directionality ==
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* With common name(s):
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* [[3-DEHYDROQUINATE-DEHYDRATASE-RXN]]
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** 1 3-methoxy-4-hydroxyphenylglycolaldehyde[c] '''+''' 1 NAD+[c] '''+''' 1 H2O[c] '''=>''' 1 NADH[c] '''+''' 2 H+[c] '''+''' 1 vanillyl mandelate[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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* Gene: [[CHC_T00008341001]]
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** Source: [[annotation-original_genome]]
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*** Assignment: AUTOMATED-NAME-MATCH
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* Gene: [[CHC_T00008341001_1]]
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** Source: [[orthology-galdieria.sulphuraria]]
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== Pathways  ==
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* [[PWY-6342]], noradrenaline and adrenaline degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6342 PWY-6342]
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** '''4''' reactions found over '''13''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[orthology]]
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** Source: [[orthology-galdieria.sulphuraria]]
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*** Tool: [[pantograph]]
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* Category: [[annotation]]
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** Source: [[annotation-original_genome]]
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*** Tool: [[pathwaytools]]
 
== External links  ==
 
== External links  ==
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* CAS : 10534-44-8
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* LIGAND-RXN:
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* PUBCHEM:
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** [http://www.genome.jp/dbget-bin/www_bget?R04891 R04891]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460271 5460271]
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{{#set: direction=LEFT-TO-RIGHT}}
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* HMDB : HMDB12710
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{{#set: common name=aldehyde dehydrogenase, (NAD) activity}}
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* LIGAND-CPD:
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{{#set: ec number=EC-1.2.1.3}}
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** [http://www.genome.jp/dbget-bin/www_bget?C00944 C00944]
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{{#set: gene associated=CHC_T00008341001|CHC_T00008341001_1}}
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* CHEMSPIDER:
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{{#set: in pathway=PWY-6342}}
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** [http://www.chemspider.com/Chemical-Structure.4573866.html 4573866]
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{{#set: reconstruction category=orthology|annotation}}
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* CHEBI:
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{{#set: reconstruction source=orthology-galdieria.sulphuraria|annotation-original_genome}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32364 32364]
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{{#set: reconstruction tool=pantograph|pathwaytools}}
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* BIGG : 3dhq
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{{#set: smiles=C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)}}
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{{#set: inchi key=InChIKey=WVMWZWGZRAXUBK-SYTVJDICSA-M}}
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{{#set: common name=3-dehydroquinate}}
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{{#set: molecular weight=189.144    }}
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{{#set: common name=3-dehydroquinic acid|5-dehydroquinic acid|5-dehydroquinate|5-de-H-quinate|rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylate}}
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{{#set: produced by=3-DEHYDROQUINATE-SYNTHASE-RXN}}
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{{#set: consumed or produced by=3-DEHYDROQUINATE-DEHYDRATASE-RXN}}
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Latest revision as of 17:12, 9 January 2019

Reaction RXN-10917

  • direction:
    • LEFT-TO-RIGHT
  • common name:
    • aldehyde dehydrogenase, (NAD) activity
  • ec number:
  • Synonym(s):

Reaction Formula

  • With identifiers:
  • With common name(s):
    • 1 3-methoxy-4-hydroxyphenylglycolaldehyde[c] + 1 NAD+[c] + 1 H2O[c] => 1 NADH[c] + 2 H+[c] + 1 vanillyl mandelate[c]

Genes associated with this reaction

Genes have been associated with this reaction based on different elements listed below.

Pathways

  • PWY-6342, noradrenaline and adrenaline degradation: PWY-6342
    • 4 reactions found over 13 reactions in the full pathway

Reconstruction information

External links





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