Difference between revisions of "3-KETOBUTYRATE"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN0-7239 RXN0-7239] == * direction: ** LEFT-TO-RIGHT * common name: ** long-chain-fatty-acid-CoA l...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETOBUTYRATE 3-KETOBUTYRATE] == * smiles: ** CC(=O)CC([O-])=O * inchi key: ** InChIKey=WDJHAL...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN0-7239 RXN0-7239] ==
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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
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* inchi key:
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** InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-M
 
* common name:
 
* common name:
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** long-chain-fatty-acid-CoA ligase
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** acetoacetate
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* ec number:
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* molecular weight:
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** [http://enzyme.expasy.org/EC/6.2.1.3 EC-6.2.1.3]
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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 [[CO-A]][c] '''+''' 1 [[PROTON]][e] '''+''' 1 [[OLEATE-CPD]][e] '''+''' 1 [[ATP]][c] '''=>''' 1 [[PROTON]][c] '''+''' 1 [[OLEOYL-COA]][c] '''+''' 1 [[AMP]][c] '''+''' 1 [[PPI]][c]
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* [[ACETOACETATE--COA-LIGASE-RXN]]
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* With common name(s):
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== Reaction(s) known to produce the compound ==
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** 1 coenzyme A[c] '''+''' 1 H+[e] '''+''' 1 oleate[e] '''+''' 1 ATP[c] '''=>''' 1 H+[c] '''+''' 1 oleoyl-CoA[c] '''+''' 1 AMP[c] '''+''' 1 diphosphate[c]
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* [[HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN]]
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* [[FUMARYLACETOACETASE-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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* [[CHC_T00009428001_1]]
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** [[pantograph]]-[[galdieria.sulphuraria]]
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* [[CHC_T00008811001]]
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** ORIGINAL_GENOME
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***AUTOMATED-NAME-MATCH
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* [[CHC_T00009428001]]
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** ORIGINAL_GENOME
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***AUTOMATED-NAME-MATCH
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* [[CHC_T00008160001_1]]
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** [[pantograph]]-[[galdieria.sulphuraria]]
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* [[CHC_T00008811001_1]]
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** [[pantograph]]-[[galdieria.sulphuraria]]
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* [[CHC_T00008500001_1]]
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** [[pantograph]]-[[galdieria.sulphuraria]]
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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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*** [[galdieria.sulphuraria]]
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[original_genome]]
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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=long-chain-fatty-acid-CoA ligase}}
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* CAS : 541-50-4
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{{#set: ec number=EC-6.2.1.3}}
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* METABOLIGHTS : MTBLC13705
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{{#set: gene associated=CHC_T00009428001_1|CHC_T00008811001|CHC_T00009428001|CHC_T00008160001_1|CHC_T00008811001_1|CHC_T00008500001_1}}
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* PUBCHEM:
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{{#set: in pathway=}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6971017 6971017]
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{{#set: reconstruction category=orthology}}
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* HMDB : HMDB00060
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{{#set: reconstruction tool=pantograph}}
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* LIGAND-CPD:
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{{#set: reconstruction source=galdieria.sulphuraria}}
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** [http://www.genome.jp/dbget-bin/www_bget?C00164 C00164]
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{{#set: reconstruction category=annotation}}
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* CHEMSPIDER:
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{{#set: reconstruction tool=pathwaytools}}
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** [http://www.chemspider.com/Chemical-Structure.5341896.html 5341896]
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{{#set: reconstruction source=original_genome}}
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=13705 13705]
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* BIGG : acac
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{{#set: smiles=CC(=O)CC([O-])=O}}
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{{#set: inchi key=InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-M}}
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{{#set: common name=acetoacetate}}
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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|ACETOACETATE--COA-LIGASE-RXN}}
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{{#set: produced by=HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN|FUMARYLACETOACETASE-RXN}}

Revision as of 16:38, 23 May 2018

Metabolite 3-KETOBUTYRATE

  • smiles:
    • CC(=O)CC([O-])=O
  • inchi key:
    • InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-M
  • common name:
    • acetoacetate
  • 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
  • METABOLIGHTS : MTBLC13705
  • PUBCHEM:
  • HMDB : HMDB00060
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : acac
"CC(=O)CC([O-])=O" cannot be used as a page name in this wiki.




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