No-core glycan structure
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3D structure from GLYCAM
Cross-references
GlyTouCan : G79333MY
GlyGen : G79333MY
ChEBI : 44331
Composition
IUPAC
Gal(b1-4)GlcNAc
GlycoCT
RES 1b:a-dglc-HEX-1:5 2s:n-acetyl 3b:b-dgal-HEX-1:5 LIN 1:1d(2+1)2n 2:1o(4+1)3d
GWS
freeEnd--?b1D-GlcNAc,p--4b1D-Gal,p$MONO,Und,0,0,freeEnd
Glycam
DGalpb1-4DGlcpNAca1-OH
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O
InCHI key
KFEUJDWYNGMDBV-RCBHQUQDSA-N
InCHI
InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13+,14+/m1/s1