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-Cystine image

Molecular Formula: C6 H12 N2 O4 S2

Natural Isotopic Abundance Mass: 240.3004800000

Mono-Isotopic Molecular Masses:

  • C12N14: 240.023848264
  • C13N14: 246.043977291
  • C12N15: 242.01791805
  • C13N15: 248.0380470772

InCHi String:

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

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

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
(2R)-2-amino-3-[(2R)-2-amino-2-carboxy-ethyl]disulfanyl-propanoic acid

PubChem Substance (SID):   85164883   209796   3774
PubChem Compound (CID):   67678
KEGG: Compound ID   C00491
CAS Registry IDs:   349-46-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 16283   EINECS 206-486-2

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.