Difference between revisions of "3-KETOBUTYRATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=GDP-TP GDP-TP] == * smiles: ** C(OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-])C1(OC(C(O)C(OP([O-])(...")
(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...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=GDP-TP GDP-TP] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETOBUTYRATE 3-KETOBUTYRATE] ==
 
* smiles:
 
* smiles:
−
** C(OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-])C1(OC(C(O)C(OP([O-])(=O)OP(O)([O-])=O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))
+
** CC(=O)CC([O-])=O
 
* common name:
 
* common name:
−
** pppGpp
+
** acetoacetate
 
* inchi key:
 
* inchi key:
−
** InChIKey=KCPMACXZAITQAX-UUOKFMHZSA-H
+
** InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
−
** 677.095    
+
** 101.082    
 
* Synonym(s):
 
* Synonym(s):
−
** guanosine pentaphosphate
+
** 3-ketobutyrate
−
** guanosine 3'-diphosphate 5'-triphosphate
+
** 3-oxobutanate
−
** guanosine 5'-triphosphate,3'-diphosphate
+
** 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 consume the compound ==
−
* [[RXN0-6427]]
+
* [[ACETOACETATE-DECARBOXYLASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[GTPPYPHOSKIN-RXN]]
+
* [[FAA]]
 +
* [[FUMARYLACETOACETASE-RXN]]
 +
* [[HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXNI-2]]
 +
* [[HBNOm]]
 +
* [[3-HYDROXYBUTYRATE-DEHYDROGENASE-RXN]]
 
== External links  ==
 
== External links  ==
 +
* UM-BBD-CPD : c0069
 +
* CAS : 541-50-4
 +
* BIGG : acac
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6971017 6971017]
 +
* HMDB : HMDB00060
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C04494 C04494]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00164 C00164]
−
* HMDB : HMDB60480
+
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.5341896.html 5341896]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16690 16690]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=13705 13705]
−
* BIGG : gdptp
+
* METABOLIGHTS : MTBLC13705
−
* PUBCHEM:
+
{{#set: smiles=CC(=O)CC([O-])=O}}
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173549 46173549]
+
{{#set: common name=acetoacetate}}
−
{{#set: smiles=C(OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-])C1(OC(C(O)C(OP([O-])(=O)OP(O)([O-])=O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))}}
+
{{#set: inchi key=InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-M}}
−
{{#set: common name=pppGpp}}
+
{{#set: molecular weight=101.082   }}
−
{{#set: inchi key=InChIKey=KCPMACXZAITQAX-UUOKFMHZSA-H}}
+
{{#set: common name=3-ketobutyrate|3-oxobutanate|oxobutyrate|acetoacetic acid|3-oxobutyric acid|3-oxobutanoic acid|diacetic acid|β-ketobutyric acid}}
−
{{#set: molecular weight=677.095   }}
+
{{#set: consumed by=ACETOACETATE-DECARBOXYLASE-RXN}}
−
{{#set: common name=guanosine pentaphosphate|guanosine 3'-diphosphate 5'-triphosphate|guanosine 5'-triphosphate,3'-diphosphate}}
+
{{#set: produced by=FAA|FUMARYLACETOACETASE-RXN|HYDROXYMETHYLGLUTARYL-COA-LYASE-RXN}}
−
{{#set: consumed by=RXN0-6427}}
+
{{#set: reversible reaction associated=RXNI-2|HBNOm|3-HYDROXYBUTYRATE-DEHYDROGENASE-RXN}}
−
{{#set: produced by=GTPPYPHOSKIN-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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