Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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D-Galactono-1,4-lactone synonyms

gamma-D-Galactonolactone; D-Galactono-1,4-lactone


Graphical representations:

D-Galactono-1,4-lactone image

View large 3D structure

Molecular Formula: C6 H10 O6

Natural Isotopic Abundance Mass: 178.14

Mono-Isotopic Molecular Masses:

  • C12N14: 178.047738054
  • C13N14: 184.06786708
  • C12N15: 178.047738054
  • C13N15: 184.06786708

InChI String: InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5-/m1/s1

isomeric SMILES: C([C@H]([C@@H]1[C@@H]([C@H](C(=O)O1)O)O)O)O

canonical SMILES: C(C(C1C(C(C(=O)O1)O)O)O)O

IUPAC: IUPAC systematic

IUPAC traditional: IUPAC cas: IUPAC openeye

PubChem Substance (SID):   85164970   6218
PubChem Compound (CID):   439994
KEGG: Compound ID   C03383
CAS Registry IDs:   2782-07-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 15895

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,