BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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alpha-D-Glucose-1-phosphate

Graphical representations:

alpha-D-Glucose-1-phosphate image

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/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1

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

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

IUPAC
[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid

IUPAC traditional
[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphosphonic acid

IUPAC cas: IUPAC openeye
[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphosphonic acid

PubChem Substance (SID):   85164928   207540   13622
PubChem Compound (CID):   65533
KEGG: Compound ID   C11450
CAS Registry IDs:   27133-73-9   28875-57-2   29698-82-6   3616-38-4   50319-10-3   56401-20-8   59-56-3   6736-77-2   68901-12-2   6997-09-7   7279-37-0
PDB Chemical Component   G1P
Miscellaneous Databases and IDs:   EINECS 200-435-8

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.