Difference between revisions of "2-KETO-ISOVALERATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-KETO-ISOVALERATE 2-KETO-ISOVALERATE] == * smiles: ** CC(C(C([O-])=O)=O)C * common name: ** 3-...")
 
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** CC(C(C([O-])=O)=O)C
 
** CC(C(C([O-])=O)=O)C
−
* common name:
 
−
** 3-methyl-2-oxobutanoate
 
−
* inchi key:
 
−
** InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M
 
 
* molecular weight:
 
* molecular weight:
 
** 115.108     
 
** 115.108     
 +
* inchi key:
 +
** InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M
 +
* common name:
 +
** 3-methyl-2-oxobutanoate
 
* Synonym(s):
 
* Synonym(s):
 
** 2-oxo-3-methylbutanoate
 
** 2-oxo-3-methylbutanoate
Line 22: Line 22:
 
** 2-oxoisopentanoate
 
** 2-oxoisopentanoate
 
** 2-keto-3-methylbutyric acid
 
** 2-keto-3-methylbutyric acid
 +
** 3-methyl-2-oxobutyrate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[2-ISOPROPYLMALATESYN-RXN]]
 
* [[MTMOHT]]
 
* [[MTMOHT]]
 +
* [[RXN-15635]]
 
* [[IPMS]]
 
* [[IPMS]]
 
* [[1.2.1.25-RXN]]
 
* [[1.2.1.25-RXN]]
−
* [[2-ISOPROPYLMALATESYN-RXN]]
 
−
* [[RXN-15635]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
* [[DIHYDROXYISOVALDEHYDRAT-RXN]]
 
* [[DIHYDROXYISOVALDEHYDRAT-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[1.2.4.4-RXN]]
 
−
* [[3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN]]
 
 
* [[KETOPANTOALDOLASE-RXN]]
 
* [[KETOPANTOALDOLASE-RXN]]
 +
* [[3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN]]
 +
* [[1.2.4.4-RXN]]
 +
* [[BRANCHED-CHAINAMINOTRANSFERVAL-RXN]]
 
* [[MOHMT]]
 
* [[MOHMT]]
−
* [[BRANCHED-CHAINAMINOTRANSFERVAL-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 759-05-7
 
−
* BIGG : 3mob
 
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5204641 5204641]
 
−
* HMDB : HMDB00019
 
−
* LIGAND-CPD:
 
−
** [http://www.genome.jp/dbget-bin/www_bget?C00141 C00141]
 
 
* CHEMSPIDER:
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.4375810.html 4375810]
 
** [http://www.chemspider.com/Chemical-Structure.4375810.html 4375810]
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5204641 5204641]
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=11851 11851]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=11851 11851]
 +
* GO-TERMS : (REFMET "Ketoisovaleric acid" NIL midford 3701443689 NIL NIL)
 +
* CAS : 759-05-7
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00141 C00141]
 +
* HMDB : HMDB00019
 
* METABOLIGHTS : MTBLC11851
 
* METABOLIGHTS : MTBLC11851
 +
* BIGG : 3mob
 
{{#set: smiles=CC(C(C([O-])=O)=O)C}}
 
{{#set: smiles=CC(C(C([O-])=O)=O)C}}
−
{{#set: common name=3-methyl-2-oxobutanoate}}
 
−
{{#set: inchi key=InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M}}
 
 
{{#set: molecular weight=115.108    }}
 
{{#set: molecular weight=115.108    }}
−
{{#set: common name=2-oxo-3-methylbutanoate|2-oxoisovalerate|α-keto-isovaleric acid|α-ketoisopentanoic acid|α-keto-isovalerate|α-oxoisovalerate|α-ketovaline|2-keto-isovalerate|2-ketovaline|α-keto-valine|2-oxoisopentanoate|2-keto-3-methylbutyric acid}}
+
{{#set: inchi key=InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M}}
−
{{#set: consumed by=MTMOHT|IPMS|1.2.1.25-RXN|2-ISOPROPYLMALATESYN-RXN|RXN-15635}}
+
{{#set: common name=3-methyl-2-oxobutanoate}}
 +
{{#set: common name=2-oxo-3-methylbutanoate|2-oxoisovalerate|α-keto-isovaleric acid|α-ketoisopentanoic acid|α-keto-isovalerate|α-oxoisovalerate|α-ketovaline|2-keto-isovalerate|2-ketovaline|α-keto-valine|2-oxoisopentanoate|2-keto-3-methylbutyric acid|3-methyl-2-oxobutyrate}}
 +
{{#set: consumed by=2-ISOPROPYLMALATESYN-RXN|MTMOHT|RXN-15635|IPMS|1.2.1.25-RXN}}
 
{{#set: produced by=DIHYDROXYISOVALDEHYDRAT-RXN}}
 
{{#set: produced by=DIHYDROXYISOVALDEHYDRAT-RXN}}
−
{{#set: reversible reaction associated=1.2.4.4-RXN|3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN|KETOPANTOALDOLASE-RXN|MOHMT|BRANCHED-CHAINAMINOTRANSFERVAL-RXN}}
+
{{#set: reversible reaction associated=KETOPANTOALDOLASE-RXN|3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN|1.2.4.4-RXN|BRANCHED-CHAINAMINOTRANSFERVAL-RXN|MOHMT}}

Latest revision as of 16:26, 10 January 2019

Metabolite 2-KETO-ISOVALERATE

  • smiles:
    • CC(C(C([O-])=O)=O)C
  • molecular weight:
    • 115.108
  • inchi key:
    • InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M
  • common name:
    • 3-methyl-2-oxobutanoate
  • Synonym(s):
    • 2-oxo-3-methylbutanoate
    • 2-oxoisovalerate
    • α-keto-isovaleric acid
    • α-ketoisopentanoic acid
    • α-keto-isovalerate
    • α-oxoisovalerate
    • α-ketovaline
    • 2-keto-isovalerate
    • 2-ketovaline
    • α-keto-valine
    • 2-oxoisopentanoate
    • 2-keto-3-methylbutyric acid
    • 3-methyl-2-oxobutyrate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CHEMSPIDER:
  • PUBCHEM:
  • CHEBI:
  • GO-TERMS : (REFMET "Ketoisovaleric acid" NIL midford 3701443689 NIL NIL)
  • CAS : 759-05-7
  • LIGAND-CPD:
  • HMDB : HMDB00019
  • METABOLIGHTS : MTBLC11851
  • BIGG : 3mob
"CC(C(C([O-])=O)=O)C" cannot be used as a page name in this wiki.




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