Biological Magnetic Resonance Data Bank

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

Alpha-D-Glucose 1,6-bisphosphate

Graphical representations:


View large 3D structure

Molecular Formula: C6H14O12P2

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=1/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1/f/h10-11,13-14H

IUPAC: [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phosphonooxy-oxan-2-yl]methoxyphosphonic acid

PubChem Compound (CID): 82400
KEGG Compound ID: C00660
CAS Registry number: 10139-18-1 28472-37-9 29315-85-3
ChEBI: 17680
EINECS: 233-395-5

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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,