Difference between revisions of "2-KETO-3-METHYL-VALERATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-KETO-3-METHYL-VALERATE 2-KETO-3-METHYL-VALERATE] == * smiles: ** CCC(C)C(=O)C([O-])=O * inchi...")
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** CCC(C)C(=O)C([O-])=O
 
** CCC(C)C(=O)C([O-])=O
 +
* molecular weight:
 +
** 129.135   
 
* inchi key:
 
* inchi key:
 
** InChIKey=JVQYSWDUAOAHFM-BYPYZUCNSA-M
 
** InChIKey=JVQYSWDUAOAHFM-BYPYZUCNSA-M
 
* common name:
 
* common name:
 
** (S)-3-methyl-2-oxopentanoate
 
** (S)-3-methyl-2-oxopentanoate
−
* molecular weight:
 
−
** 129.135   
 
 
* Synonym(s):
 
* Synonym(s):
 
** (3S)-3-methyl-2-oxopentanoate
 
** (3S)-3-methyl-2-oxopentanoate
Line 27: Line 27:
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
* [[2KETO-3METHYLVALERATE-RXN]]
 
* [[2KETO-3METHYLVALERATE-RXN]]
−
* [[METHYLVALERATE-RXN]]
 
 
* [[BRANCHED-CHAINAMINOTRANSFERILEU-RXN]]
 
* [[BRANCHED-CHAINAMINOTRANSFERILEU-RXN]]
 +
* [[METHYLVALERATE-RXN]]
 
== External links  ==
 
== External links  ==
 +
* METABOLIGHTS : MTBLC35146
 +
* BIGG : 3mop
 
* CAS : 1460-34-0
 
* CAS : 1460-34-0
−
* METABOLIGHTS : MTBLC35146
 
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6857401 6857401]
 
 
* HMDB : HMDB00491
 
* HMDB : HMDB00491
−
* LIGAND-CPD:
 
−
** [http://www.genome.jp/dbget-bin/www_bget?C00671 C00671]
 
 
* CHEMSPIDER:
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.19951083.html 19951083]
 
** [http://www.chemspider.com/Chemical-Structure.19951083.html 19951083]
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=35146 35146]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=35146 35146]
−
* BIGG : 3mop
+
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00671 C00671]
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6857401 6857401]
 
{{#set: smiles=CCC(C)C(=O)C([O-])=O}}
 
{{#set: smiles=CCC(C)C(=O)C([O-])=O}}
 +
{{#set: molecular weight=129.135    }}
 
{{#set: inchi key=InChIKey=JVQYSWDUAOAHFM-BYPYZUCNSA-M}}
 
{{#set: inchi key=InChIKey=JVQYSWDUAOAHFM-BYPYZUCNSA-M}}
 
{{#set: common name=(S)-3-methyl-2-oxopentanoate}}
 
{{#set: common name=(S)-3-methyl-2-oxopentanoate}}
−
{{#set: molecular weight=129.135    }}
 
 
{{#set: common name=(3S)-3-methyl-2-oxopentanoate|α-keto-methylvalerate|2-oxo-3-methylvalerate|(S)-2-oxo-3-methylpentanoate|(S)-3-methyl-2-oxovalerate|2-oxo-3-methylpentanoate|3-methyl-2-oxopentanoate|α-keto-β-methyl-valerate|2-keto-3-methyl-valerate|2-keto-isoleucine}}
 
{{#set: common name=(3S)-3-methyl-2-oxopentanoate|α-keto-methylvalerate|2-oxo-3-methylvalerate|(S)-2-oxo-3-methylpentanoate|(S)-3-methyl-2-oxovalerate|2-oxo-3-methylpentanoate|3-methyl-2-oxopentanoate|α-keto-β-methyl-valerate|2-keto-3-methyl-valerate|2-keto-isoleucine}}
 
{{#set: consumed by=4.1.1.72-RXN}}
 
{{#set: consumed by=4.1.1.72-RXN}}
 
{{#set: produced by=DIHYDROXYMETVALDEHYDRAT-RXN}}
 
{{#set: produced by=DIHYDROXYMETVALDEHYDRAT-RXN}}
−
{{#set: reversible reaction associated=2KETO-3METHYLVALERATE-RXN|METHYLVALERATE-RXN|BRANCHED-CHAINAMINOTRANSFERILEU-RXN}}
+
{{#set: reversible reaction associated=2KETO-3METHYLVALERATE-RXN|BRANCHED-CHAINAMINOTRANSFERILEU-RXN|METHYLVALERATE-RXN}}

Latest revision as of 17:45, 9 January 2019

Metabolite 2-KETO-3-METHYL-VALERATE

  • smiles:
    • CCC(C)C(=O)C([O-])=O
  • molecular weight:
    • 129.135
  • inchi key:
    • InChIKey=JVQYSWDUAOAHFM-BYPYZUCNSA-M
  • common name:
    • (S)-3-methyl-2-oxopentanoate
  • Synonym(s):
    • (3S)-3-methyl-2-oxopentanoate
    • α-keto-methylvalerate
    • 2-oxo-3-methylvalerate
    • (S)-2-oxo-3-methylpentanoate
    • (S)-3-methyl-2-oxovalerate
    • 2-oxo-3-methylpentanoate
    • 3-methyl-2-oxopentanoate
    • α-keto-β-methyl-valerate
    • 2-keto-3-methyl-valerate
    • 2-keto-isoleucine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • METABOLIGHTS : MTBLC35146
  • BIGG : 3mop
  • CAS : 1460-34-0
  • HMDB : HMDB00491
  • CHEMSPIDER:
  • CHEBI:
  • LIGAND-CPD:
  • PUBCHEM:
"CCC(C)C(=O)C([O-])=O" cannot be used as a page name in this wiki.




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