Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Succinic Acid Disodium Salt

Graphical representations:

succinic acid disodium salt image

View large 3D structure

Molecular Formula: C4 H6 O4

Natural Isotopic Abundance Mass: 118.0880400000

Mono-Isotopic Molecular Masses:

  • C12N14: 118.026608681
  • C13N14: 122.040028032
  • C12N15: 118.026608681
  • C13N15: 122.040028032

InChI String: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)

Isomeric and Canonical SMILES: C(CC(=O)O)C(=O)O

butanedioic acid

IUPAC traditional: IUPAC cas: IUPAC openeye
succinic acid

PubChem Substance (SID):   151153   3344
PubChem Compound (CID):   1110
KEGG: Compound ID   C00042
CAS Registry IDs:   110-15-6
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 15741   EINECS 203-740-4   NSC 106449   Beilstein Handbook Reference 4-02-00-01908   HSDB 791

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,