BMRB

Biological Magnetic Resonance Data Bank


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

4-methylvaleric Acid

Graphical representations:

4-methylvaleric acid image

Molecular Formula: C6 H12 O2

Natural Isotopic Abundance Mass: 116.15828

Mono-Isotopic Molecular Masses:

  • C12N14: 116.0837296294
  • C13N14: 122.1038586562
  • C12N15: 116.0837296294
  • C13N15: 122.1038586562

InCHi String:

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

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
4-methylpentanoic acid

PUBCHEM iupac TRADITIONAL NAME
4-methylvaleric acid

PubChem Substance (SID):   111677768   70514   49655255
PubChem Compound (CID):   12587
KEGG: Compound ID   n/a
CAS Registry IDs:   646-07-1
PDB Chemical Component   4MV
Miscellaneous Databases and IDs:   Sigma-Aldrich 277827_ALDRICH   MMDB 63013.5   DTP/NCI 4126   MMCD cq_10747   MDL MFCD00002803

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.