Biological Magnetic Resonance Data Bank

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


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Molecular Formula: C6H13NO5

Natural Isotopic Abundance Mass: 179.1711200000

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1

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

PubChem Compound (CID): 18897 439213
KEGG Compound ID: C00329
CAS Registry number: 3416-24-8 2351-15-7 58-87-7 58267-75-7
ChEBI: 17315
EINECS: 222-311-2
Beilstein Handbook Reference: 4-04-00-02017
PDB Compound ID: GCS

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,