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: C8H15NO6

Natural Isotopic Abundance Mass: 221.2078000000

Mono-Isotopic Molecular Masses:

  • C12N14: 221.089937219
  • C13N14: 229.116775922
  • C12N15: 222.086972113
  • C13N15: 229.116775922

InChI string: InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1/f/h9H

IUPAC: N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

PubChem Compound (CID): 24139
KEGG Compound ID: C00140
CAS Registry number: 134-61-2 173382-53-1 7132-76-5 7512-17-6 98632-70-3
ChEBI: 17411
EINECS: 231-368-2
NSC: 524344 400525

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,