Biological Magnetic Resonance Data Bank

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


Graphical representations:

D-(+)-Xylose 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/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1

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

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

IUPAC: IUPAC systematic

IUPAC traditional: IUPAC cas: IUPAC openeye

PubChem Substance (SID):   85164875   148884   3481
PubChem Compound (CID):   6027   135191
KEGG: Compound ID   C00181
CAS Registry IDs:   133-56-2   141492-19-5   58-86-6
PDB Chemical Component   XYS
Miscellaneous Databases and IDs:   CHEBI 15936   CCRIS 1899   HSDB 3273   Beilstein Handbook Reference 4-01-00-04223   NSC 122762   FEMA No. 3606   EINECS 200-400-7

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,