Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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(S)-(+)-2-hydroxy-3-methylbutyric Acid

2_hydroxy_3_methylbutyric_acid synonyms

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


Graphical representations:


View large 3D structure

Molecular Formula: C5H10O3

Natural Isotopic Abundance Mass: 118.1311

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1

PubChem Compound (CID): 853180
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.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,