Biological Magnetic Resonance Data Bank

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


L-Cystathionine synonyms



Graphical representations:

L-Cystathionine image

Molecular Formula: C7 H14 N2 O4 S

Natural Isotopic Abundance Mass: 222.2620600000

Mono-Isotopic Molecular Masses:

  • C12N14: 222.067427638
  • C13N14: 229.090911503
  • C12N15: 224.061497425
  • C13N15: 231.0849812892

InCHi String:

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

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

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

IUPAC traditional: IUPAC cas
(2S)-2-amino-4-[(2S)-2-amino-2-carboxy-ethyl]thio-butanoic acid

PubChem Substance (SID):   111677716   5347
PubChem Compound (CID):   439698
KEGG: Compound ID   C02291
CAS Registry IDs:   56-88-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 17482

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.