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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D-Glucosamine

Graphical representations:

D-Glucosamine image

Molecular Formula: C6 H13 N O5

Natural Isotopic Abundance Mass: 179.1711200000

Mono-Isotopic Molecular Masses:

  • C12N14: 179.079372533
  • C13N14: 185.09950156
  • C12N15: 180.076407426
  • C13N15: 186.096536453

InCHi String:

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

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

IUPAC: IUPAC systematic
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol

IUPAC traditional
(2R,3R,4R,5S,6R)-3-amino-6-methylol-tetrahydropyran-2,4,5-triol

IUPAC cas: IUPAC openeye
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol

PubChem Substance (SID):   111677736   10546   161872
PubChem Compound (CID):   18897   439213
KEGG: Compound ID   C00329
CAS Registry IDs:   3416-24-8   2351-15-7   58-87-7   58267-75-7
PDB Chemical Component   GCS
Miscellaneous Databases and IDs:   CHEBI 17315   EINECS 222-311-2   Beilstein Handbook Reference 4-04-00-02017

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.