Difference between revisions of "2-KETO-ISOVALERATE"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=1.3.1.20-RXN 1.3.1.20-RXN] == * direction: ** REVERSIBLE * common name: ** dihydrodiol_dehydrogenas...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-KETO-ISOVALERATE 2-KETO-ISOVALERATE] == * smiles: ** CC(C(C([O-])=O)=O)C * common name: ** 3-...")
 
(One intermediate revision 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=1.3.1.20-RXN 1.3.1.20-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-KETO-ISOVALERATE 2-KETO-ISOVALERATE] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** CC(C(C([O-])=O)=O)C
 
* common name:
 
* common name:
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** dihydrodiol_dehydrogenase
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** 3-methyl-2-oxobutanoate
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/1.3.1.20 EC-1.3.1.20]
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** InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M
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* molecular weight:
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** 115.108   
 
* Synonym(s):
 
* Synonym(s):
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** 2-oxo-3-methylbutanoate
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** 2-oxoisovalerate
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** α-keto-isovaleric acid
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** α-ketoisopentanoic acid
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** α-keto-isovalerate
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** α-oxoisovalerate
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** α-ketovaline
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** 2-keto-isovalerate
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** 2-ketovaline
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** α-keto-valine
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** 2-oxoisopentanoate
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** 2-keto-3-methylbutyric 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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* [[MTMOHT]]
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** 1 [[NADP]][c] '''+''' 1 [[CPD-289]][c] '''<=>''' 1 [[NADPH]][c] '''+''' 1 [[CATECHOL]][c] '''+''' 1 [[PROTON]][c]
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* [[IPMS]]
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* With common name(s):
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* [[2-ISOPROPYLMALATESYN-RXN]]
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** 1 NADP+[c] '''+''' 1 (1R,2R)-cyclohexa-3,5-diene-1,2-diol[c] '''<=>''' 1 NADPH[c] '''+''' 1 catechol[c] '''+''' 1 H+[c]
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* [[RXN-15635]]
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* [[R01226]]
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== Genes associated with this reaction  ==
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* [[1.2.1.25-RXN]]
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Genes have been associated with this reaction based on different elements listed below.
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== Reaction(s) known to produce the compound ==
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* [[Tiso_gene_10406]]
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* [[DMHL]]
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** IN-SILICO_ANNOTATION
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* [[DHAD_3mob_h]]
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***AUTOMATED-NAME-MATCH
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* [[DHAD_3mob]]
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== Pathways  ==
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* [[DIHYDROXYISOVALDEHYDRAT-RXN]]
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== Reconstruction information  ==
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== Reaction(s) of unknown directionality ==
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* Category: [[annotation]]
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* [[1.2.4.4-RXN]]
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** Source: [[annotation-in-silico_annotation]]
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* [[3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN]]
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*** Tool: [[pathwaytools]]
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* [[KETOPANTOALDOLASE-RXN]]
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* [[BRANCHED-CHAINAMINOTRANSFERVAL-RXN]]
 
== External links  ==
 
== External links  ==
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* RHEA:
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* CAS : 759-05-7
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=16729 16729]
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* BIGG : 3mob
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* LIGAND-RXN:
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* PUBCHEM:
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** [http://www.genome.jp/dbget-bin/www_bget?R00814 R00814]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5204641 5204641]
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{{#set: direction=REVERSIBLE}}
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* HMDB : HMDB00019
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{{#set: common name=dihydrodiol_dehydrogenase}}
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* LIGAND-CPD:
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{{#set: ec number=EC-1.3.1.20}}
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** [http://www.genome.jp/dbget-bin/www_bget?C00141 C00141]
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{{#set: gene associated=Tiso_gene_10406}}
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* CHEMSPIDER:
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{{#set: in pathway=}}
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** [http://www.chemspider.com/Chemical-Structure.4375810.html 4375810]
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{{#set: reconstruction category=annotation}}
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* CHEBI:
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{{#set: reconstruction source=annotation-in-silico_annotation}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=11851 11851]
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{{#set: reconstruction tool=pathwaytools}}
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* METABOLIGHTS : MTBLC11851
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{{#set: smiles=CC(C(C([O-])=O)=O)C}}
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{{#set: common name=3-methyl-2-oxobutanoate}}
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{{#set: inchi key=InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M}}
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{{#set: molecular weight=115.108    }}
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{{#set: common name=2-oxo-3-methylbutanoate|2-oxoisovalerate|&alpha;-keto-isovaleric acid|&alpha;-ketoisopentanoic acid|&alpha;-keto-isovalerate|&alpha;-oxoisovalerate|&alpha;-ketovaline|2-keto-isovalerate|2-ketovaline|&alpha;-keto-valine|2-oxoisopentanoate|2-keto-3-methylbutyric acid}}
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{{#set: consumed by=MTMOHT|IPMS|2-ISOPROPYLMALATESYN-RXN|RXN-15635|R01226|1.2.1.25-RXN}}
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{{#set: produced by=DMHL|DHAD_3mob_h|DHAD_3mob|DIHYDROXYISOVALDEHYDRAT-RXN}}
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{{#set: reversible reaction associated=1.2.4.4-RXN|3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN|KETOPANTOALDOLASE-RXN|BRANCHED-CHAINAMINOTRANSFERVAL-RXN}}

Latest revision as of 20:24, 21 March 2018

Metabolite 2-KETO-ISOVALERATE

  • smiles:
    • CC(C(C([O-])=O)=O)C
  • common name:
    • 3-methyl-2-oxobutanoate
  • inchi key:
    • InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M
  • molecular weight:
    • 115.108
  • Synonym(s):
    • 2-oxo-3-methylbutanoate
    • 2-oxoisovalerate
    • α-keto-isovaleric acid
    • α-ketoisopentanoic acid
    • α-keto-isovalerate
    • α-oxoisovalerate
    • α-ketovaline
    • 2-keto-isovalerate
    • 2-ketovaline
    • α-keto-valine
    • 2-oxoisopentanoate
    • 2-keto-3-methylbutyric acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 759-05-7
  • BIGG : 3mob
  • PUBCHEM:
  • HMDB : HMDB00019
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC11851
"CC(C(C([O-])=O)=O)C" cannot be used as a page name in this wiki.




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