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 1-phosphate

D-Fructose 1-phosphate synonyms

D-Fructose 1-phosphate


Graphical representations:

D-Fructose 1-phosphate image

View large 3D structure

Molecular Formula: C6 H13 O9 P

Natural Isotopic Abundance Mass: 260.1357810000

Mono-Isotopic Molecular Masses:

  • C12N14: 260.029718526
  • C13N14: 266.049847553
  • C12N15: 260.029718526
  • C13N15: 266.049847553

InChI String: InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1

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

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

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

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

PubChem Substance (SID):   85165061   4329
PubChem Compound (CID):   439394
KEGG: Compound ID   C01094
CAS Registry IDs:   15978-08-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChemIDplus *na

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,