Glycosciences.DB structure entry #212: Lacto-N-fucopentaose III / LNFP III

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 2D Structure
b-D-Galp-(1-4)+ | b-D-GlcpNAc-(1-3)-b-D-Galp-(1-4)-D-Glc | a-L-Fucp-(1-3)+
 SNFG-style Graphics
  3D Structure Model
  Corresponding entries: 1
 Motifs: 1
 Trivial names
 General Structure Data
 Composition
  NMR Proton Chemical Shift Info

MHz 500
Temperature 300
Solvent D2O
Residue Linkage Proton PPM JFrom JTo Hz Note
D-Glc    H1A  5.219      0  
D-Glc    H1B  4.661      0  
D-Glc    H2A  3.584      0  
D-Glc    H2B  3.286      0  
D-Glc    H3A  3.826      0  
D-Glc    H3B  3.632      0  
D-Glc    H4A  3.650      0  
D-Glc    H4B  3.651      0  
D-Glc    H5A  3.935      0  
D-Glc    H5B  3.600      0  
D-Glc    H6A  3.861      0  
b-D-Galp  4  H1  4.434      0  
b-D-Galp  4  H2  3.584      0  
b-D-Galp  4  H3  3.719      0  
b-D-Galp  4  H4  4.155      0  
b-D-Galp  4  H5  3.716      0  
b-D-Galp  4  H6  3.769      0  
b-D-GlcpNAc  3,4  H1  4.719      0  
b-D-GlcpNAc  3,4  H2  3.958      0  
b-D-GlcpNAc  3,4  H3  3.876      0  
b-D-GlcpNAc  3,4  H4  3.627      0  
b-D-GlcpNAc  3,4  H5  3.548      0  
b-D-GlcpNAc  3,4  H6  3.918      0  
b-D-GlcpNAc  3,4  NAC  2.026      0  
b-D-Galp  4,3,4  H1  4.463      0  
b-D-Galp  4,3,4  H2  3.493      0  
b-D-Galp  4,3,4  H3  3.956      0  
b-D-Galp  4,3,4  H4  3.893      0  
b-D-Galp  4,3,4  H6  3.730      0  
a-L-Fucp  3,3,4  H1  5.128      0  
a-L-Fucp  3,3,4  H2  3.691      0  
a-L-Fucp  3,3,4  H3  3.895      0  
a-L-Fucp  3,3,4  H4  3.793      0  
a-L-Fucp  3,3,4  H5  4.832      0  
a-L-Fucp  3,3,4  CH3  1.173      0  
  NMR Carbon Chemical Shift Info

MHz 50
Temperature 300
Solvent D2O
Note a) May have to be interchanged with signal at 76.15 ppm from structure 2.
Residue Linkage Carbon PPM JFrom JTo Hz Note
D-Glc    C1A  92.61      0  
D-Glc    C1B  96.54      0  
D-Glc    C2A  71.95      0  
D-Glc    C2B  74.61      0  
D-Glc    C3A  72.20      0  
D-Glc    C3B  75.16      0  
D-Glc    C4A  79.24      0  
D-Glc    C4B  79.13      0  
D-Glc    C5A  70.92      0  
D-Glc    C5B  75.68      0  
D-Glc    C6A  60.79      0  
D-Glc    C6B  60.92      0  
b-D-Galp  4  C1  103.72      0  
b-D-Galp  4  C2  70.78      0  
b-D-Galp  4  C3  82.85      0  
b-D-Galp  4  C4  69.15      0  
b-D-Galp  4  C5  75.59      0  a
b-D-Galp  4  C6  61.77      0  
b-D-GlcpNAc  3,4  C1  103.29      0  
b-D-GlcpNAc  3,4  C2  56.77      0  
b-D-GlcpNAc  3,4  C3  76.94      0  
b-D-GlcpNAc  3,4  C4  73.15      0  
b-D-GlcpNAc  3,4  C5  75.68      0  
b-D-GlcpNAc  3,4  C6  60.45      0  
b-D-GlcpNAc  3,4  CO  175.42      0  
b-D-GlcpNAc  3,4  NAC  23.10      0  
b-D-Galp  4,3,4  C1  102.57      0  
b-D-Galp  4,3,4  C2  71.86      0  
b-D-Galp  4,3,4  C3  73.89      0  
b-D-Galp  4,3,4  C4  69.15      0  
b-D-Galp  4,3,4  C5  75.68      0  
b-D-Galp  4,3,4  C6  62.28      0  
a-L-Fucp  3,3,4  C1  99.38      0  
a-L-Fucp  3,3,4  C2  68.53      0  
a-L-Fucp  3,3,4  C3  70.02      0  
a-L-Fucp  3,3,4  C4  72.75      0  
a-L-Fucp  3,3,4  C5  67.48      0  
a-L-Fucp  3,3,4  C6  16.16      0  
  Literature references: 56
 Taxonomy: 4
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