Difference between revisions of "Ec-00 001300"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=ExchangeSeed_Light ExchangeSeed_Light] == * direction: ** REVERSIBLE * Synonym(s): == Reaction For...")
(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=ExchangeSeed_Light ExchangeSeed_Light] ==
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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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** REVERSIBLE
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** CC(=O)CC([O-])=O
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* inchi key:
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** InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-M
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* common name:
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** acetoacetate
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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--COA-LIGASE-RXN]]
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** 1.0 [[Light]][C-BOUNDARY] '''<=>''' 1.0 [[Light]][e]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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* [[HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN]]
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** 1.0 h&nu;[C-BOUNDARY] '''<=>''' 1.0 h&nu;[e]
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== Reaction(s) of unknown directionality ==
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== Genes associated with this reaction  ==
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== Pathways  ==
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== Reconstruction information  ==
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* Category: [[manual]]
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** Source: [[manual-import_from_medium]]
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*** Comment: [[added to manage seeds from boundary to extracellular compartment]]
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== External links  ==
 
== External links  ==
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{{#set: direction=REVERSIBLE}}
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* UM-BBD-CPD : c0069
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{{#set: in pathway=}}
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* CAS : 541-50-4
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{{#set: reconstruction category=manual}}
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* BIGG : 1485291
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{{#set: reconstruction source=manual-import_from_medium}}
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* PUBCHEM:
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{{#set: reconstruction comment=added to manage seeds from boundary to extracellular compartment}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6971017 6971017]
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* HMDB : HMDB00060
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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: 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|&beta;-ketobutyric acid}}
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{{#set: consumed by=ACETOACETATE--COA-LIGASE-RXN}}
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{{#set: produced by=HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN}}

Revision as of 14:46, 21 March 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
  • BIGG : 1485291
  • 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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