Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


D-Xylulose synonyms

D-Lyxulose; D-threo-Pentulose; D-Xylulose


Graphical representations:

D-Xylulose image

View large 3D structure

Molecular Formula: C5 H10 O5

Natural Isotopic Abundance Mass: 150.1299000000

Mono-Isotopic Molecular Masses:

  • C12N14: 150.052823432
  • C13N14: 155.069597621
  • C12N15: 150.052823432
  • C13N15: 155.069597621

InChI String: InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5+/m1/s1

isomeric SMILES: C1[C@H]([C@@H](C(O1)(CO)O)O)O

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

IUPAC: IUPAC systematic

IUPAC traditional

IUPAC cas: IUPAC openeye

PubChem Substance (SID):   85164876   3604
PubChem Compound (CID):   439204
KEGG: Compound ID   C00310
CAS Registry IDs:   551-84-8
PDB Chemical Component   XLF
Miscellaneous Databases and IDs:   CHEBI 17140

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,