BMRB

Biological Magnetic Resonance Data Bank


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

2-Hydroxyisocaproic Acid

Graphical representations:

2-Hydroxyisocaproic acid image

Molecular Formula: C6 H12 O3

Natural Isotopic Abundance Mass: 132.15768

Mono-Isotopic Molecular Masses:

  • C12N14: 132.0786442515
  • C13N14: 138.0987732783
  • C12N15: 132.0786442515
  • C13N15: 138.0987732783

InCHi String:

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

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
2-hydroxy-4-methylpentanoic acid

PUBCHEM iupac TRADITIONAL NAME
2-hydroxy-4-methyl-valeric acid

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
2-hydroxy-4-methyl-pentanoic acid

PubChem Substance (SID):   85165138   4617518   10351521
PubChem Compound (CID):   92779
KEGG: Compound ID   n/a
CAS Registry IDs:   54641-21-3   10303-64-7   26671-68-1   498-36-2
PDB Chemical Component   1LU   OLE
Miscellaneous Databases and IDs:   ChemIDplus 000498362   ChemSpider 83753   NIST 3673653695   DiscoveryGate 92779   EINECS 207-860-8   Sigma-Aldrich 219819_ALDRICH   ChemDB 6047663

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.