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Α-Ketoisocaproic acid

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α-Ketoisocaproic acid
Skeletal formula of alpha-ketoisocaproic acid
Skeletal formula of alpha-ketoisocaproic acid
Names
IUPAC name 4-Methyl-2-oxopentanoic acid
Systematic IUPAC name 4-Methyl-2-oxopentanoic acid
Other names 4-Methyl-2-oxovaleric acid
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 1701823
ChEBI
ChEMBL
ChemSpider
DrugBank
ECHA InfoCard 100.011.304 Edit this at Wikidata
EC Number
  • 212-435-5
KEGG
MeSH Alpha-ketoisocaproic+acid
PubChem CID
UN number 3265
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)Key: BKAJNAXTPSGJCU-UHFFFAOYSA-N
  • InChI=1/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)Key: BKAJNAXTPSGJCU-UHFFFAOYAG
SMILES
  • CC(C)CC(=O)C(O)=O
  • O=C(C(=O)O)CC(C)C
Properties
Chemical formula C6H10O3
Molar mass 130.143 g·mol
Density 1.055 g cm (at 20 °C)
Boiling point 85 °C (185 °F; 358 K)
log P 0.133
Acidity (pKa) 2.651
Basicity (pKb) 11.346
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkverify (what is  ?) Infobox references
Chemical compound

α-Ketoisocaproic acid is an intermediate in the metabolism of leucine.

References

  1. http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=70
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Amino acid metabolism metabolic intermediates
Kacetyl-CoA
lysine
leucine
tryptophanalanine
G
G→pyruvate
citrate
glycine
serine
G→glutamate
α-ketoglutarate
histidine
proline
arginine
other
G→propionyl-CoA
succinyl-CoA
valine
isoleucine
methionine
threonine
propionyl-CoA
G→fumarate
phenylalaninetyrosine
G→oxaloacetate
Other
Cysteine metabolism
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