Difference between revisions of "CPD-9451"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN66-3 RXN66-3] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/1.2....")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9451 CPD-9451] == * smiles: ** CC(C(C(=O)[O-])=CC(=O)[O-])C * inchi key: ** InChIKey=NJMGRJ...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN66-3 RXN66-3] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9451 CPD-9451] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CC(C(C(=O)[O-])=CC(=O)[O-])C
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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=NJMGRJLQRLFQQX-HYXAFXHYSA-L
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* common name:
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** 2-isopropylmaleate
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* molecular weight:
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** 156.138   
 
* Synonym(s):
 
* Synonym(s):
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** β-isopropylmaleate
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** 2-isopropylmaleic 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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== Reaction(s) known to produce the compound ==
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** 1 [[WATER]][c] '''+''' 1 [[NAD]][c] '''+''' 1 [[ACETALD]][c] '''=>''' 1 [[NADH]][c] '''+''' 1 [[ACET]][c] '''+''' 2 [[PROTON]][c]
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== Reaction(s) of unknown directionality ==
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* With common name(s):
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* [[3-ISOPROPYLMALISOM-RXN]]
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** 1 H2O[c] '''+''' 1 NAD+[c] '''+''' 1 acetaldehyde[c] '''=>''' 1 NADH[c] '''+''' 1 acetate[c] '''+''' 2 H+[c]
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* [[RXN-8991]]
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[PWY-7387]], hypotaurine degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7387 PWY-7387]
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** '''1''' reactions found over '''3''' reactions in the full pathway
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* [[PWY66-161]], oxidative ethanol degradation III: [http://metacyc.org/META/NEW-IMAGE?object=PWY66-161 PWY66-161]
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** '''2''' reactions found over '''3''' reactions in the full pathway
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* [[PWY66-21]], ethanol degradation II: [http://metacyc.org/META/NEW-IMAGE?object=PWY66-21 PWY66-21]
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** '''2''' reactions found over '''3''' reactions in the full pathway
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* [[PWY66-162]], ethanol degradation IV: [http://metacyc.org/META/NEW-IMAGE?object=PWY66-162 PWY66-162]
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** '''3''' reactions found over '''3''' 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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* RHEA:
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* PUBCHEM:
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=25295 25295]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21954611 21954611]
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* LIGAND-RXN:
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* HMDB : HMDB12241
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** [http://www.genome.jp/dbget-bin/www_bget?R00710 R00710]
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* LIGAND-CPD:
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{{#set: direction=LEFT-TO-RIGHT}}
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** [http://www.genome.jp/dbget-bin/www_bget?C02631 C02631]
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{{#set: ec number=EC-1.2.1.3}}
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* CHEMSPIDER:
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{{#set: in pathway=PWY-7387|PWY66-161|PWY66-21|PWY66-162}}
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** [http://www.chemspider.com/Chemical-Structure.10710392.html 10710392]
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{{#set: reconstruction category=annotation}}
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* CHEBI:
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{{#set: reconstruction source=annotation-esiliculosus_genome}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58085 58085]
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{{#set: reconstruction tool=pathwaytools}}
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* BIGG : 40241
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{{#set: smiles=CC(C(C(=O)[O-])=CC(=O)[O-])C}}
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{{#set: inchi key=InChIKey=NJMGRJLQRLFQQX-HYXAFXHYSA-L}}
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{{#set: common name=2-isopropylmaleate}}
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{{#set: molecular weight=156.138    }}
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{{#set: common name=β-isopropylmaleate|2-isopropylmaleic acid}}
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{{#set: reversible reaction associated=3-ISOPROPYLMALISOM-RXN|RXN-8991}}

Latest revision as of 19:52, 21 March 2018

Metabolite CPD-9451

  • smiles:
    • CC(C(C(=O)[O-])=CC(=O)[O-])C
  • inchi key:
    • InChIKey=NJMGRJLQRLFQQX-HYXAFXHYSA-L
  • common name:
    • 2-isopropylmaleate
  • molecular weight:
    • 156.138
  • Synonym(s):
    • β-isopropylmaleate
    • 2-isopropylmaleic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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



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