bmse000101 3-Methyl-2-oxobutinoic acid at BMRB

3-Methyl-2-oxobutinoic acid

alpha-Ketoisovalerate; 2-Oxoisovalerate; 2-Oxo-3-methylbutanoate; 3-Methyl-2-oxobutanoate; alpha-Ketoisovaleric acid; 2-Oxoisovaleric acid; 2-Oxoisopentanoate; 2-Ketovaline; Butanoic acid, 3-methyl-2-oxo-; 2-Keto-3-methylbutyric acid; 3-Methyl-2-oxobutyric acid

Molecular Formula: C5 H8 O3
Natural Isotopic Abundance Mass: 116.1152200000
Mono-Isotopic Molecular Masses: C12N14: 116.047344123; C13N14: 121.064118312; C12N15: 116.047344123; C13N15: 121.064118312

3-Methyl-2-oxobutinoic acid

InCHi String:
InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)

isomeric and canonical SMILES:
CC(C)C(=O)C(=O)O

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
3-methyl-2-oxo-butanoic acid

PubChem Substance (SID):   85164939   207009   3441
PubChem Compound (CID):   49
KEGG: Compound ID   C00141
CAS Registry IDs:   3715-29-5   51828-94-5   759-05-7
PDB Chemical Component   KIV
Miscellaneous Databases and IDs:   CHEBI 16530   EINECS 212-065-4

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.