Difference between revisions of "2K-4CH3-PENTANOATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2K-4CH3-PENTANOATE 2K-4CH3-PENTANOATE] == * smiles: ** CC(C)CC(C([O-])=O)=O * common name: ** 4...")
 
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** CC(C)CC(C([O-])=O)=O
 
** CC(C)CC(C([O-])=O)=O
−
* common name:
 
−
** 4-methyl-2-oxopentanoate
 
−
* inchi key:
 
−
** InChIKey=BKAJNAXTPSGJCU-UHFFFAOYSA-M
 
 
* molecular weight:
 
* molecular weight:
 
** 129.135     
 
** 129.135     
 +
* inchi key:
 +
** InChIKey=BKAJNAXTPSGJCU-UHFFFAOYSA-M
 +
* common name:
 +
** 4-methyl-2-oxopentanoate
 
* Synonym(s):
 
* Synonym(s):
 
** 2-keto-4-methyl-pentanoate
 
** 2-keto-4-methyl-pentanoate
Line 18: Line 18:
 
** ketoleucine
 
** ketoleucine
 
** 4-methyl-2-oxopentanoic acid
 
** 4-methyl-2-oxopentanoic acid
 +
** 2-ketoisocaproic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-17525]]
 
 
* [[KETOISOCAPROATE-RXN]]
 
* [[KETOISOCAPROATE-RXN]]
−
* [[2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN]]
+
* [[RXN-17525]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-7800]]
 
 
* [[RXN-13158]]
 
* [[RXN-13158]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
* [[BRANCHED-CHAINAMINOTRANSFERLEU-RXN]]
 
* [[BRANCHED-CHAINAMINOTRANSFERLEU-RXN]]
 
== External links  ==
 
== External links  ==
−
* CAS : 816-66-0
 
−
* BIGG : 4mop
 
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3527278 3527278]
 
−
* HMDB : HMDB00695
 
−
* LIGAND-CPD:
 
−
** [http://www.genome.jp/dbget-bin/www_bget?C00233 C00233]
 
 
* CHEMSPIDER:
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.2766269.html 2766269]
 
** [http://www.chemspider.com/Chemical-Structure.2766269.html 2766269]
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3527278 3527278]
 +
* REFMET : Ketoleucine
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17865 17865]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17865 17865]
 +
* CAS : 816-66-0
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00233 C00233]
 +
* HMDB : HMDB00695
 
* METABOLIGHTS : MTBLC17865
 
* METABOLIGHTS : MTBLC17865
 +
* BIGG : 4mop
 
{{#set: smiles=CC(C)CC(C([O-])=O)=O}}
 
{{#set: smiles=CC(C)CC(C([O-])=O)=O}}
−
{{#set: common name=4-methyl-2-oxopentanoate}}
 
−
{{#set: inchi key=InChIKey=BKAJNAXTPSGJCU-UHFFFAOYSA-M}}
 
 
{{#set: molecular weight=129.135    }}
 
{{#set: molecular weight=129.135    }}
−
{{#set: common name=2-keto-4-methyl-pentanoate|2-oxoisocaproate|2-oxo-4-methylpentanoate|α-ketoisocaproate|α-oxoisocaproate|2-ketoisocaproate|ketoleucine|4-methyl-2-oxopentanoic acid}}
+
{{#set: inchi key=InChIKey=BKAJNAXTPSGJCU-UHFFFAOYSA-M}}
−
{{#set: consumed by=RXN-17525|KETOISOCAPROATE-RXN|2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN}}
+
{{#set: common name=4-methyl-2-oxopentanoate}}
−
{{#set: produced by=RXN-7800|RXN-13158}}
+
{{#set: common name=2-keto-4-methyl-pentanoate|2-oxoisocaproate|2-oxo-4-methylpentanoate|α-ketoisocaproate|α-oxoisocaproate|2-ketoisocaproate|ketoleucine|4-methyl-2-oxopentanoic acid|2-ketoisocaproic acid}}
 +
{{#set: consumed by=KETOISOCAPROATE-RXN|RXN-17525}}
 +
{{#set: produced by=RXN-13158}}
 
{{#set: reversible reaction associated=BRANCHED-CHAINAMINOTRANSFERLEU-RXN}}
 
{{#set: reversible reaction associated=BRANCHED-CHAINAMINOTRANSFERLEU-RXN}}

Latest revision as of 16:17, 10 January 2019

Metabolite 2K-4CH3-PENTANOATE

  • smiles:
    • CC(C)CC(C([O-])=O)=O
  • molecular weight:
    • 129.135
  • inchi key:
    • InChIKey=BKAJNAXTPSGJCU-UHFFFAOYSA-M
  • common name:
    • 4-methyl-2-oxopentanoate
  • Synonym(s):
    • 2-keto-4-methyl-pentanoate
    • 2-oxoisocaproate
    • 2-oxo-4-methylpentanoate
    • α-ketoisocaproate
    • α-oxoisocaproate
    • 2-ketoisocaproate
    • ketoleucine
    • 4-methyl-2-oxopentanoic acid
    • 2-ketoisocaproic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CHEMSPIDER:
  • PUBCHEM:
  • REFMET : Ketoleucine
  • CHEBI:
  • CAS : 816-66-0
  • LIGAND-CPD:
  • HMDB : HMDB00695
  • METABOLIGHTS : MTBLC17865
  • BIGG : 4mop
"CC(C)CC(C([O-])=O)=O" cannot be used as a page name in this wiki.




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