Difference between revisions of "3-KETOBUTYRATE"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-16000 RXN-16000] == * direction: ** LEFT-TO-RIGHT * common name: ** NADP-dependent L-serine/L-a...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETOBUTYRATE 3-KETOBUTYRATE] == * smiles: ** CC(=O)CC([O-])=O * common name: ** acetoacetate...")
 
(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-16000 RXN-16000] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETOBUTYRATE 3-KETOBUTYRATE] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CC(=O)CC([O-])=O
 
* common name:
 
* common name:
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** NADP-dependent L-serine/L-allo-threonine dehydrogenase
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** acetoacetate
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* inchi key:
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** InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-M
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* molecular weight:
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** 101.082   
 
* Synonym(s):
 
* Synonym(s):
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** 3-ketobutyrate
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** 3-oxobutanate
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** oxobutyrate
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** acetoacetic acid
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** 3-oxobutyric acid
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** 3-oxobutanoic acid
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** diacetic acid
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** β-ketobutyric 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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* [[ACETOACETATE-DECARBOXYLASE-RXN]]
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** 1 [[L-ALLO-THREONINE]][c] '''+''' 1 [[NADP]][c] '''=>''' 1 [[AMINO-OXOBUT]][c] '''+''' 1 [[NADPH]][c] '''+''' 1 [[PROTON]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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* [[FAA]]
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** 1 L-allo-threonine[c] '''+''' 1 NADP+[c] '''=>''' 1 L-2-amino-3-oxobutanoate[c] '''+''' 1 NADPH[c] '''+''' 1 H+[c]
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* [[FUMARYLACETOACETASE-RXN]]
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* [[HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN]]
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== Genes associated with this reaction  ==
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== Reaction(s) of unknown directionality ==
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Genes have been associated with this reaction based on different elements listed below.
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* [[RXNI-2]]
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* [[Tiso_gene_16359]]
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* [[HBNOm]]
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** EXPERIMENTAL_ANNOTATION
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* [[3-HYDROXYBUTYRATE-DEHYDROGENASE-RXN]]
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***AUTOMATED-NAME-MATCH
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== Pathways  ==
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== Reconstruction information  ==
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[experimental_annotation]]
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== External links  ==
 
== External links  ==
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{{#set: direction=LEFT-TO-RIGHT}}
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* UM-BBD-CPD : c0069
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{{#set: common name=NADP-dependent L-serine/L-allo-threonine dehydrogenase}}
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* CAS : 541-50-4
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{{#set: gene associated=Tiso_gene_16359}}
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* BIGG : acac
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{{#set: in pathway=}}
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* PUBCHEM:
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{{#set: reconstruction category=annotation}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6971017 6971017]
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{{#set: reconstruction tool=pathwaytools}}
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* HMDB : HMDB00060
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{{#set: reconstruction source=experimental_annotation}}
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00164 C00164]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.5341896.html 5341896]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=13705 13705]
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* METABOLIGHTS : MTBLC13705
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{{#set: smiles=CC(=O)CC([O-])=O}}
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{{#set: common name=acetoacetate}}
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{{#set: inchi key=InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-M}}
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{{#set: molecular weight=101.082    }}
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{{#set: common name=3-ketobutyrate|3-oxobutanate|oxobutyrate|acetoacetic acid|3-oxobutyric acid|3-oxobutanoic acid|diacetic acid|β-ketobutyric acid}}
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{{#set: consumed by=ACETOACETATE-DECARBOXYLASE-RXN}}
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{{#set: produced by=FAA|FUMARYLACETOACETASE-RXN|HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN}}
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{{#set: reversible reaction associated=RXNI-2|HBNOm|3-HYDROXYBUTYRATE-DEHYDROGENASE-RXN}}

Latest revision as of 20:06, 21 March 2018

Metabolite 3-KETOBUTYRATE

  • smiles:
    • CC(=O)CC([O-])=O
  • common name:
    • acetoacetate
  • inchi key:
    • InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-M
  • molecular weight:
    • 101.082
  • Synonym(s):
    • 3-ketobutyrate
    • 3-oxobutanate
    • oxobutyrate
    • acetoacetic acid
    • 3-oxobutyric acid
    • 3-oxobutanoic acid
    • diacetic acid
    • β-ketobutyric acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • UM-BBD-CPD : c0069
  • CAS : 541-50-4
  • BIGG : acac
  • PUBCHEM:
  • HMDB : HMDB00060
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC13705
"CC(=O)CC([O-])=O" cannot be used as a page name in this wiki.




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