Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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D-Fructose-1,6-bisphosphate synonyms

beta-D-Fructose 1,6-bisphosphate


Graphical representations:

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

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

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

[(2R,3S,4R,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methoxyphosphonic acid

IUPAC traditional: IUPAC cas: IUPAC openeye
[(2R,3S,4R,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]methoxyphosphonic acid

PubChem Substance (SID):   85164864   7752
PubChem Compound (CID):   10267
KEGG: Compound ID   C05378
CAS Registry IDs:   125740-83-2   15499-52-2   23558-08-9   23784-19-2   26177-85-5   34378-77-3   38099-82-0   4004-40-4   488-69-7   6035-52-5   6055-82-9   77-82-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 28013

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,