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:

L-Homoserine image

View large 3D structure

Molecular Formula: C4 H9 N O3

Natural Isotopic Abundance Mass: 119.1191600000

Mono-Isotopic Molecular Masses:

  • C12N14: 119.05824316
  • C13N14: 123.071662512
  • C12N15: 120.055278054
  • C13N15: 124.0686974048

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

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

canonical SMILES: C(CO)C(C(=O)O)N

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

PubChem Substance (SID):   85164888   155978   3561
PubChem Compound (CID):   12647
KEGG: Compound ID   C00263
CAS Registry IDs:   498-19-1   672-15-1
PDB Chemical Component   HSE
Miscellaneous Databases and IDs:   CHEBI 15699   NSC 206251   EINECS 211-590-6

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,