Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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L_cystathionine synonyms



Graphical representations:


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Molecular Formula: C7H14N2O4S

Natural Isotopic Abundance Mass: 222.2620600000

Mono-Isotopic Molecular Masses:

  • C12N14: 222.067427638
  • C13N14: 229.090911503
  • C12N15: 224.061497425
  • C13N15: 229.090911503

InChI string: InChI=1/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1/f/h10,12H

IUPAC: (2S)-2-amino-4-[(2S)-2-amino-2-carboxy-ethyl]sulfanyl-butanoic acid

PubChem Compound (CID): 439698
KEGG Compound ID: C02291
CAS Registry number: 56-88-2
ChEBI: 17482

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,