Difference between revisions of "CPD-4127"

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(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...")
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9952 RXN-9952] == * direction: ** LEFT-TO-RIGHT * common name: ** 3-hydroxyisobutyrate_mitochon...")
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[[Category:Metabolite]]
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[[Category:Reaction]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETOBUTYRATE 3-KETOBUTYRATE] ==
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9952 RXN-9952] ==
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* smiles:
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* direction:
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** CC(=O)CC([O-])=O
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** LEFT-TO-RIGHT
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* inchi key:
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** InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-M
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* common name:
 
* common name:
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** acetoacetate
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** 3-hydroxyisobutyrate_mitochondrial
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* molecular weight:
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** 6-phosphogluconate_decarboxylating
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** 101.082   
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** ORF
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* ec number:
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** [http://enzyme.expasy.org/EC/1.1.1.44 EC-1.1.1.44]
 
* 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(s) known to consume the compound ==
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== Reaction Formula ==
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* [[ACETOACETATE-DECARBOXYLASE-RXN]]
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* With identifiers:
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== Reaction(s) known to produce the compound ==
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** 1 [[NADP]][c] '''+''' 1 [[CPD-2961]][c] '''=>''' 1 [[NADPH]][c] '''+''' 1 [[RIBULOSE-5P]][c] '''+''' 1 [[CARBON-DIOXIDE]][c]
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* [[FAA]]
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* With common name(s):
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* [[FUMARYLACETOACETASE-RXN]]
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** 1 NADP+[c] '''+''' 1 D-gluconate 6-phosphate[c] '''=>''' 1 NADPH[c] '''+''' 1 D-ribulose 5-phosphate[c] '''+''' 1 CO2[c]
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* [[HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN]]
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== Reaction(s) of unknown directionality ==
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== Genes associated with this reaction  ==
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* [[RXNI-2]]
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Genes have been associated with this reaction based on different elements listed below.
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* [[HBNOm]]
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* Gene: [[Tiso_gene_7157]]
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* [[3-HYDROXYBUTYRATE-DEHYDROGENASE-RXN]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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** Source: [[orthology-esiliculosus]]
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* Gene: [[Tiso_gene_19590]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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* Gene: [[Tiso_gene_91]]
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** Source: [[orthology-esiliculosus]]
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* Gene: [[Tiso_gene_777]]
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** Source: [[orthology-esiliculosus]]
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* Gene: [[Tiso_gene_20238]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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** Source: [[orthology-esiliculosus]]
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== Pathways  ==
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* [[OXIDATIVEPENT-PWY]], pentose phosphate pathway (oxidative branch) I: [http://metacyc.org/META/NEW-IMAGE?object=OXIDATIVEPENT-PWY OXIDATIVEPENT-PWY]
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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: [[orthology]]
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** Source: [[orthology-esiliculosus]]
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*** Tool: [[pantograph]]
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* Category: [[manual]]
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** Source: [[manual-primary_network]]
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* Category: [[annotation]]
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** Source: [[annotation-in-silico_annotation]]
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*** Tool: [[pathwaytools]]
 
== External links  ==
 
== External links  ==
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* UM-BBD-CPD : c0069
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* RHEA:
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* CAS : 541-50-4
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=10116 10116]
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* METABOLIGHTS : MTBLC13705
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* LIGAND-RXN:
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* PUBCHEM:
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** [http://www.genome.jp/dbget-bin/www_bget?R01528 R01528]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6971017 6971017]
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{{#set: direction=LEFT-TO-RIGHT}}
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* HMDB : HMDB00060
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{{#set: common name=3-hydroxyisobutyrate_mitochondrial}}
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* LIGAND-CPD:
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{{#set: common name=6-phosphogluconate_decarboxylating}}
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** [http://www.genome.jp/dbget-bin/www_bget?C00164 C00164]
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{{#set: common name=ORF}}
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* CHEMSPIDER:
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{{#set: ec number=EC-1.1.1.44}}
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** [http://www.chemspider.com/Chemical-Structure.5341896.html 5341896]
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{{#set: gene associated=Tiso_gene_7157|Tiso_gene_19590|Tiso_gene_91|Tiso_gene_777|Tiso_gene_20238}}
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* CHEBI:
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{{#set: in pathway=OXIDATIVEPENT-PWY}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=13705 13705]
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{{#set: reconstruction category=orthology|manual|annotation}}
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* BIGG : acac
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{{#set: reconstruction source=manual-primary_network|annotation-in-silico_annotation|orthology-esiliculosus}}
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{{#set: smiles=CC(=O)CC([O-])=O}}
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{{#set: reconstruction tool=pantograph|pathwaytools}}
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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}}
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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}}
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Revision as of 16:49, 21 March 2018

Reaction RXN-9952

  • direction:
    • LEFT-TO-RIGHT
  • common name:
    • 3-hydroxyisobutyrate_mitochondrial
    • 6-phosphogluconate_decarboxylating
    • ORF
  • ec number:
  • Synonym(s):

Reaction Formula

  • With identifiers:
  • With common name(s):
    • 1 NADP+[c] + 1 D-gluconate 6-phosphate[c] => 1 NADPH[c] + 1 D-ribulose 5-phosphate[c] + 1 CO2[c]

Genes associated with this reaction

Genes have been associated with this reaction based on different elements listed below.

Pathways

Reconstruction information

External links






Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-4127&oldid=36513"