N-Acetylneuraminic Acid

N-Acetylneuraminic Acid bmse000057 - Data bmst000276 - Theory

N_acetylneuraminic_acid synonyms

N-Acetylneuraminate; 5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid; Neu5Ac

Wikipedia:

Graphical representations:

N_acetylneuraminic_acid

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: 321.139919323

InChI string: InChI=1S/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+,11-/m0/s1

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
PDB Compound ID: NAN SI2 SIA SLB

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, https://www.nature.com/articles/sdata201773)