Core 1 glycan structure
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3D structure from GLYCAM
Cross-references
GlyTouCan : G70693FX
GlyGen : G70693FX
ChEBI : 153526
Composition
IUPAC
Gal(b1-3)Gal(b1-3)GalNAc
GlycoCT
RES 1b:a-dgal-HEX-1:5 2s:n-acetyl 3b:b-dgal-HEX-1:5 4b:b-dgal-HEX-1:5 LIN 1:1d(2+1)2n 2:1o(3+1)3d 3:3o(3+1)4d
GWS
freeEnd--?a1D-GalNAc,p--3b1D-Gal,p--3b1D-Gal,p$MONO,Und,0,0,freeEnd
Glycam
DGalpb1-3DGalpb1-3DGalpNAca1-OH
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O
InCHI key
CGMBNPCAOYSHCK-RJVNOACHSA-N
InCHI
InChI=1S/C20H35NO16/c1-5(25)21-9-16(11(27)7(3-23)33-18(9)32)36-20-15(31)17(12(28)8(4-24)35-20)37-19-14(30)13(29)10(26)6(2-22)34-19/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11+,12+,13+,14-,15-,16-,17+,18+,19+,20+/m1/s1