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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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L-Cysteic Acid
L-Cysteic Acid synonyms
2-amino-3-sulfopropanoic acid; L-cysteate; L-Cysteate; Alanine, 3-sulfo-, L-; L-alanine, 3-sulfo-; L-Cysteic acid; Alanine, 3-sulfo-, L- (8CI); Cysteric acid; alpha-amino-beta-sulfopropionic acid; 2-Amino-3-sulfopropionic acid; Cepteic acid
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 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.
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, https://www.nature.com/articles/sdata201773