Core 1 glycan structure

Loading ...
Loading ...
Loading ...
Loading ...
Loading ...
Loading ...

3D structure from GLYCAM

Cross-references

GlyTouCan : G83950JR

GlyGen : G83950JR

ChEBI : 154765


Composition

Hex:3 HexNAc:2


IUPAC

Gal(a1-3)Gal(b1-4)GlcNAc(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-dglc-HEX-1:5
5s:n-acetyl
6b:b-dgal-HEX-1:5
7b:a-dgal-HEX-1:5
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(3+1)4d
4:4d(2+1)5n
5:4o(4+1)6d
6:6o(3+1)7d

GWS

freeEnd--?a1D-GalNAc,p--3b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p--3a1D-Gal,p$MONO,Und,0,0,freeEnd

Glycam

DGalpa1-3DGalpb1-4DGlcpNAcb1-3DGalpb1-3DGalpNAca1-OH

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO)O)NC(=O)C)CO)O)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O

InCHI key

QIMOOCXQRRJVGU-DYJKAEMFSA-N

InCHI

InChI=1S/C34H58N2O26/c1-8(42)35-15-21(48)26(59-33-25(52)29(20(47)13(6-40)56-33)62-32-23(50)22(49)17(44)10(3-37)55-32)14(7-41)58-31(15)61-28-19(46)12(5-39)57-34(24(28)51)60-27-16(36-9(2)43)30(53)54-11(4-38)18(27)45/h10-34,37-41,44-53H,3-7H2,1-2H3,(H,35,42)(H,36,43)/t10-,11-,12-,13-,14-,15-,16-,17+,18+,19+,20+,21-,22+,23-,24-,25-,26-,27-,28+,29+,30+,31+,32-,33+,34+/m1/s1