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 2,6-bisphosphate

Graphical representations:

D-Fructose 2,6-bisphosphate image

View large 3D structure

Molecular Formula: C6 H14 O12 P2

Natural Isotopic Abundance Mass: 340.1156820000

Mono-Isotopic Molecular Masses:

  • C12N14: 339.996048935
  • C13N14: 346.016177961
  • C12N15: 339.996048935
  • C13N15: 346.016177961

InChI String: InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1

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

IUPAC: IUPAC systematic
[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-phosphonooxy-oxolan-2-yl]methoxyphosphonic acid

IUPAC traditional
[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylol-5-phosphonooxy-tetrahydrofuran-2-yl]methoxyphosphonic acid

IUPAC openeye: IUPAC cas
[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-phosphonooxy-tetrahydrofuran-2-yl]methoxyphosphonic acid

PubChem Substance (SID):   85165080   682496   3934
PubChem Compound (CID):   105021
KEGG: Compound ID   C00665
CAS Registry IDs:   79082-92-1
PDB Chemical Component   FDP
Miscellaneous Databases and IDs:   ChemIDplus 079082921

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,