Biological Magnetic Resonance Data Bank

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


Graphical representations:


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Molecular Formula: C4H9NO3

Natural Isotopic Abundance Mass: 119.1191600000

Mono-Isotopic Molecular Masses:

  • C12N14: 119.05824316
  • C13N14: 123.071662512
  • C12N15: 120.055278054
  • C13N15: 123.071662512

InChI string: InChI=1/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1/f/h7H

IUPAC: (2S)-2-amino-4-hydroxy-butanoic acid

PubChem Compound (CID): 12647
KEGG Compound ID: C00263
CAS Registry number: 498-19-1 672-15-1
ChEBI: 15699
NSC: 206251
EINECS: 211-590-6

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,