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-Cysteine image

View large 3D structure

Molecular Formula: C3 H7 N O2 S

Natural Isotopic Abundance Mass: 121.1581800000

Mono-Isotopic Molecular Masses:

  • C12N14: 121.019749164
  • C13N14: 124.029813677
  • C12N15: 122.016784057
  • C13N15: 125.0268485707

InChI String: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1

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

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

(2R)-2-amino-3-sulfanyl-propanoic acid

IUPAC traditional: IUPAC cas
(2R)-2-amino-3-mercapto-propanoic acid

PubChem Substance (SID):   85164882   148667   3397
PubChem Compound (CID):   5862
KEGG: Compound ID   C00097
CAS Registry IDs:   4371-52-2   52-90-4   7048-04-6
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 17561   FEMA No. 3263   CCRIS 912   NSC 8746   EINECS 200-158-2   HSDB 2109

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,