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-Xylonate synonyms

D-Arabinonate; D-D-Arabonate; D-Xylonate; D-Arabonic acid


Graphical representations:

D-Xylonate image

View large 3D structure

Molecular Formula: C5 H10 O6

Natural Isotopic Abundance Mass: 166.1293000000

Mono-Isotopic Molecular Masses:

  • C12N14: 166.047738054
  • C13N14: 171.064512243
  • C12N15: 166.047738054
  • C13N15: 171.064512243

InChI String: InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4+/m1/s1

isomeric and canonical SMILES: C(C(C(C(C(=O)O)O)O)O)O

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
2,3,4,5-tetrahydroxypentanoic acid

PubChem Substance (SID):   85164989   3785
PubChem Compound (CID):   10264   5460056
KEGG: Compound ID   C00502
CAS Registry IDs:   526-91-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 17746

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,