4-Methyl-2-oxovaleric Acid

4-Methyl-2-oxovaleric Acid bmse000383 - Data

4-Methyl-2-oxovaleric synonyms

2-keto-4-methyl-pentanoate; alpha-Ketoisocaproic acid; Pentanoic acid, 4-methyl-2-oxo-; Ketoleucine; 4-Methyl-2-oxopentanoic acid; 4-Methyl-2-oxopentanoate; 2-Oxoisocaproic acid; 2-Oxo-4-Methylpentanoic Acid; 2-oxo-4-methylpentanoate; 2-KETOISOCAPROIC ACID; Isopropylpyruvic acid

Wikipedia:

Graphical representations:

4-Methyl-2-oxovaleric

View large 3D structure

Molecular Formula: C6H10O3

Natural Isotopic Abundance Mass: 130.1418

Mono-Isotopic Molecular Masses:

  • C12N14: 130.0629941873
  • C13N14: 136.0831232141
  • C12N15: 130.0629941873
  • C13N15: 136.0831232141

InChI string: InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)

PubChem Compound (CID): 70
CAS Registry number: 4502-00-5 816-66-0 51828-95-6
Sigma-Aldrich: 68255_FLUKA
ChemIDplus: 000816660
DrugBank: DB03229
ChemSpider: 69
EINECS: 212-435-5
KEGG Compound ID: C00233
ChemDB: 6691046
NIST: 293888292
PDB Compound ID: COI

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)