Biological Magnetic Resonance Data Bank

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

N-Acetylneuraminic Acid

Graphical representations:


View large 3D structure

Molecular Formula: C11H19NO9

Natural Isotopic Abundance Mass: 309.2698600000

Mono-Isotopic Molecular Masses:

  • C12N14: 309.105981214
  • C13N14: 320.14288443
  • C12N15: 310.103016107
  • C13N15: 320.14288443

InChI string: InChI=1/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11u/m0/s1/f/h12,18H

IUPAC: (4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

PubChem Compound (CID): 439197
KEGG Compound ID: C00270
CAS Registry number: 131-48-6
ChEBI: 17012

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,