BMRB

Biological Magnetic Resonance Data Bank


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

D-(-)-Fructose

Graphical representations:

D-(-)-Fructose image

Molecular Formula: C6 H12 O6

Natural Isotopic Abundance Mass: 180.1558800000

Mono-Isotopic Molecular Masses:

  • C12N14: 180.063388118
  • C13N14: 186.083517145
  • C12N15: 180.063388118
  • C13N15: 186.083517145

InCHi String: InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1

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

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

IUPAC: IUPAC systematic
(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol

IUPAC traditional
(2R,3S,4R,5R)-2,5-dimethyloltetrahydrofuran-2,3,4-triol

IUPAC cas: IUPAC openeye
(2R,3S,4R,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol

PubChem Substance (SID):   85164863   3848329   3395
PubChem Compound (CID):   439709
KEGG: Compound ID   C00095
CAS Registry IDs:   53188-23-1
PDB Chemical Component   FRU
Miscellaneous Databases and IDs:   CHEBI 15824

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.