Difference between revisions of "CPD-8653"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-14224 RXN-14224] == * direction: ** REVERSIBLE * ec number: ** [http://enzyme.expasy.org/EC/1.2...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8653 CPD-8653] == * smiles: ** C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O...")
 
(2 intermediate revisions by the same user not shown)
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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-14224 RXN-14224] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8653 CPD-8653] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/1.2.1.3 EC-1.2.1.3]
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** InChIKey=XHJKHSXHWJCBLX-AAEUAGOBSA-L
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* common name:
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** betanidin
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* molecular weight:
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** 386.317   
 
* Synonym(s):
 
* Synonym(s):
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** betanidin radical
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** 2,6-Pyridinedicarboxylic acid
  
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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-8635]]
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** 1 [[WATER]][c] '''+''' 1 [[NAD]][c] '''+''' 1 [[CPD-15163]][c] '''<=>''' 2 [[PROTON]][c] '''+''' 1 [[NADH]][c] '''+''' 1 [[CPD-661]][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 H2O[c] '''+''' 1 NAD+[c] '''+''' 1 prop-2-ynal[c] '''<=>''' 2 H+[c] '''+''' 1 NADH[c] '''+''' 1 propynoate[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-11_002450]]
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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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* RHEA:
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* DRUGBANK : DB00217
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=30882 30882]
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* PUBCHEM:
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* LIGAND-RXN:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245506 25245506]
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** [http://www.genome.jp/dbget-bin/www_bget?R02940 R02940]
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* CHEBI:
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{{#set: direction=REVERSIBLE}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=3079 3079]
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{{#set: ec number=EC-1.2.1.3}}
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* LIGAND-CPD:
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{{#set: gene associated=Ec-11_002450}}
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** [http://www.genome.jp/dbget-bin/www_bget?C08539 C08539]
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{{#set: in pathway=}}
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* HMDB : HMDB29407
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{{#set: reconstruction category=orthology}}
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{{#set: smiles=C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)}}
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{{#set: reconstruction tool=pantograph}}
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{{#set: inchi key=InChIKey=XHJKHSXHWJCBLX-AAEUAGOBSA-L}}
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{{#set: reconstruction source=aragem}}
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{{#set: common name=betanidin}}
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{{#set: molecular weight=386.317    }}
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{{#set: common name=betanidin radical|2,6-Pyridinedicarboxylic acid}}
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{{#set: consumed by=RXN-8635}}

Latest revision as of 19:54, 21 March 2018

Metabolite CPD-8653

  • smiles:
    • C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)
  • inchi key:
    • InChIKey=XHJKHSXHWJCBLX-AAEUAGOBSA-L
  • common name:
    • betanidin
  • molecular weight:
    • 386.317
  • Synonym(s):
    • betanidin radical
    • 2,6-Pyridinedicarboxylic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)" cannot be used as a page name in this wiki.



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