BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

3-Methyl-2-oxopentanoic Acid

Graphical representations:

3-Methyl-2-oxopentanoic acid image

Molecular Formula: C6 H10 O3

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/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)

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

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
3-methyl-2-oxopentanoic acid

PUBCHEM iupac TRADITIONAL NAME
2-keto-3-methyl-valeric acid

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
3-methyl-2-oxo-pentanoic acid

PubChem Substance (SID):   6284   24854807   1953
PubChem Compound (CID):   47
KEGG: Compound ID   C03465
CAS Registry IDs:   3715-31-9   1460-34-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   EINECS 215-955-0   Thomson Pharma 00428195   ChemIDplus 001460340   Sigma-Aldrich 246468_ALDRICH   ChemDB 6048275

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.