Glycosciences.DB structure entry #519: 6'-sialyl-LacNac

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 2D Structure
a-D-Neup5Ac-(2-6)-b-D-Galp-(1-4)-D-GlcNAc
 SNFG-style Graphics
  3D Structure Model
  Corresponding entries: 3
 General Structure Data
 Composition
  NMR Proton Chemical Shift Info

MHz 300
Temperature 295
Solvent D2O
Note a)Measured at 323 K
Residue Linkage Proton PPM JFrom JTo Hz Note
D-GlcNAc    H1A  5.200  1  2  3  
D-GlcNAc    H1B  4.753  1  2  8  a
D-GlcNAc    NAC  2.066      0  
b-D-Galp  4  H1(A)  4.453  1  2  8  
b-D-Galp  4  H1(B)  4.449  1  2  8  
a-D-Neup5Ac  6,4  H3A  1.714  3a  3e  12  
a-D-Neup5Ac  6,4    0.000  3a  4  12  
a-D-Neup5Ac  6,4  H3E  2.671  3e  4  4.5  
a-D-Neup5Ac  6,4  NAC  2.029      0  
  NMR Carbon Chemical Shift Info

MHz 62.89
Temperature 303
Solvent D2O
Note a)Assignments may have to be interchanged.
Residue Linkage Carbon PPM JFrom JTo Hz Note
D-GlcNAc    C1A  91.40      0  
D-GlcNAc    C1B  95.60      0  
D-GlcNAc    C2A  54.30      0  
D-GlcNAc    C2B  56.80      0  
D-GlcNAc    C3A  70.20      0  
D-GlcNAc    C3B  73.40      0  
D-GlcNAc    C4A  81.80      0  
D-GlcNAc    C4B  81.60      0  
D-GlcNAc    C5A  70.90      0  
D-GlcNAc    C5B  75.40      0  
D-GlcNAc    C6A  61.10      0  
D-GlcNAc    C6B  61.30      0  
D-GlcNAc    CO  175.40      0  
D-GlcNAc    CH3A  22.90      0  
D-GlcNAc    CH3B  23.10      0  
b-D-Galp  4  C1  104.40      0  
b-D-Galp  4  C2  71.60      0  a
b-D-Galp  4  C3  73.30      0  a
b-D-Galp  4  C4  69.10      0  
b-D-Galp  4  C5  74.60      0  
b-D-Galp  4  C6  64.20      0  
a-D-Neup5Ac  6,4  C1  174.40      0  
a-D-Neup5Ac  6,4  C2  101.00      0  
a-D-Neup5Ac  6,4  C3  40.90      0  
a-D-Neup5Ac  6,4  C4  63.30      0  a
a-D-Neup5Ac  6,4  C5  52.70      0  
a-D-Neup5Ac  6,4  C6  73.40      0  a
a-D-Neup5Ac  6,4  C7  69.30      0  a
a-D-Neup5Ac  6,4  C8  72.60      0  
a-D-Neup5Ac  6,4  C9  63.50      0  
a-D-Neup5Ac  6,4  CO  175.80      0  
a-D-Neup5Ac  6,4  CH3  22.90      0  
  Literature references: 64
 Taxonomy: 4
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