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-Glucosamine 6-phosphate

D-Glucosamine 6-phosphate synonyms

D-Glucosamine 6-phosphate; D-Glucosamine phosphate


Graphical representations:

D-Glucosamine 6-phosphate image

View large 3D structure

Molecular Formula: C6 H14 N O8 P

Natural Isotopic Abundance Mass: 259.1510210000

Mono-Isotopic Molecular Masses:

  • C12N14: 259.045702941
  • C13N14: 265.065831968
  • C12N15: 260.042737835
  • C13N15: 266.0628668614

InChI String: InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(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)O)N)O)O)OP(=O)(O)O

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

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

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

PubChem Substance (SID):   85165009   3645
PubChem Compound (CID):   439217
KEGG: Compound ID   C00352
CAS Registry IDs:   3616-42-0
PDB Chemical Component   GLP
Miscellaneous Databases and IDs:   CHEBI 15873

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,