Biological Magnetic Resonance Data Bank

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

L-Cysteic Acid

Graphical representations:


View large 3D structure

Molecular Formula: C3H7NO5S

Natural Isotopic Abundance Mass: 169.15638

Mono-Isotopic Molecular Masses:

  • C12N14: 169.0044930304
  • C13N14: 172.0145575438
  • C12N15: 170.0015279236
  • C13N15: 173.011592437

InChI string: InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1

PubChem Compound (CID): 72886
CAS Registry number: 498-40-8 13100-82-8
ChEBI: CHEBI:17285
ChemSpider: 65718
BIND: 785
EINECS: 207-861-3
KEGG Compound ID: C00506
ChemIDplus: 000498408
PDB Compound ID: OCS

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,