BMRB

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:

L-Cysteic acid image

Molecular Formula: C3 H7 N O5 S

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

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

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

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
(2R)-2-amino-3-sulfopropanoic acid

PUBCHEM iupac TRADITIONAL NAME
(2R)-2-amino-3-sulfo-propionic acid

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(2R)-2-amino-3-sulfo-propanoic acid

PubChem Substance (SID):   85165174   43128955   215128
PubChem Compound (CID):   72886
KEGG: Compound ID   C00506
CAS Registry IDs:   498-40-8   13100-82-8
PDB Chemical Component   OCS
Miscellaneous Databases and IDs:   ChEBI CHEBI:17285   ChemSpider 65718   BIND 785   EINECS 207-861-3   ChemIDplus 000498408

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.