Core 6 glycan structure

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

3D structure from GLYCAM

Cross-references

GlyTouCan : G13179DW

GlyGen : G13179DW

ChEBI : 148020


Composition

Hex:2 HexNAc:3


IUPAC

Gal(b1-3)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dglc-HEX-1:5
4s:n-acetyl
5b:b-dgal-HEX-1:5
6b:b-dglc-HEX-1:5
7s:n-acetyl
8b:b-dgal-HEX-1:5
LIN
1:1d(2+1)2n
2:1o(6+1)3d
3:3d(2+1)4n
4:3o(4+1)5d
5:5o(3+1)6d
6:6d(2+1)7n
7:6o(3+1)8d

GWS

freeEnd--?a1D-GalNAc,p--6b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p--3b1D-Gal,p$MONO,Und,0,0,freeEnd

Glycam

DGalpb1-3DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-6DGalpNAca1-OH

SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)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)NC(=O)C)O)O)NC(=O)C)O)O

InCHI key

HNJIUKKNBVGIPS-XMGORIRDSA-N

InCHI

InChI=1S/C36H61N3O26/c1-9(44)37-17-24(51)21(48)16(58-32(17)56)8-57-33-18(38-10(2)45)25(52)29(15(7-43)62-33)63-36-28(55)31(23(50)14(6-42)61-36)65-34-19(39-11(3)46)30(22(49)13(5-41)59-34)64-35-27(54)26(53)20(47)12(4-40)60-35/h12-36,40-43,47-56H,4-8H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)/t12-,13-,14-,15-,16-,17-,18-,19-,20+,21+,22-,23+,24-,25-,26+,27-,28-,29-,30-,31+,32+,33-,34+,35+,36+/m1/s1