BMRB

Biological Magnetic Resonance Data Bank


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

(S)-(+)-2-hydroxy-3-methylbutyric Acid

(S)-(+)-2-hydroxy-3-methylbutyric Acid synonyms

(S)-()-2-Hydroxy-3-methylbutyric acid; L-alpha-Hydroxyisovaleric acid

Wikipedia:

Graphical representations:

(S)-(+)-2-hydroxy-3-methylbutyric acid image

Molecular Formula: C5 H10 O3

Natural Isotopic Abundance Mass: 118.1311

Mono-Isotopic Molecular Masses:

  • C12N14: 118.0629941873
  • C13N14: 123.0797683763
  • C12N15: 118.0629941873
  • C13N15: 123.0797683763

InCHi String:

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

isomeric SMILES: CC(C)[C@@H](C(=O)O)O

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
(2S)-2-hydroxy-3-methylbutanoic acid

PUBCHEM iupac TRADITIONAL NAME
(2S)-2-hydroxy-3-methyl-butyric acid

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(2S)-2-hydroxy-3-methyl-butanoic acid

PubChem Substance (SID):   85165350   24863611   45841649
PubChem Compound (CID):   853180
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 379093_ALDRICH   ChemSpider 745606   MMCD cq_10595   MDL MFCD00066443

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.