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:

L-(-)-Fucose image

View large 3D structure

Molecular Formula: C6 H12 O5

Natural Isotopic Abundance Mass: 164.1564800000

Mono-Isotopic Molecular Masses:

  • C12N14: 164.068473496
  • C13N14: 170.088602522
  • C12N15: 164.068473496
  • C13N15: 170.088602522

InChI String: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m0/s1

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

canonical SMILES: CC1C(C(C(C(O1)O)O)O)O


IUPAC traditional: IUPAC cas: IUPAC openeye

PubChem Substance (SID):   85164884   160301   4264
PubChem Compound (CID):   17106
KEGG: Compound ID   C01019
CAS Registry IDs:   2438-80-4
PDB Chemical Component   AFL   FUC   FUL   INS
Miscellaneous Databases and IDs:   CHEBI 18287   EINECS 219-452-7

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,