Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Sodium Glycolate

Graphical representations:

Sodium glycolate image

View large 3D structure

Molecular Formula: C2 H4 O3

Natural Isotopic Abundance Mass: 76.0513600000

Mono-Isotopic Molecular Masses:

  • C12N14: 76.0160439947
  • C13N14: 78.0227536703
  • C12N15: 76.0160439947
  • C13N15: 78.0227536703

InChI String: InChI=1/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)/f/h4H

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

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye
2-hydroxyacetic acid

IUPAC systematic
2-hydroxyethanoic acid

PubChem Substance (SID):   149551   3460
PubChem Compound (CID):   757
KEGG: Compound ID   C00160
CAS Registry IDs:   1932-50-9   25904-89-6   2836-32-0   35249-89-9   39663-84-8   79-14-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 29805   NSC 166   EINECS 201-180-5   Beilstein Handbook Reference 4-03-00-00571   HSDB 5227

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,