Core 2 glycan structure

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

3D structure from GLYCAM

Cross-references

GlyTouCan : G30871VQ

GlyGen : G30871VQ

ChEBI : 149067

UniCarb-DB :


Composition

Hex:2 HexNAc:3


IUPAC

Gal(b1-4)GlcNAc(b1-6)[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-dglc-HEX-1:5
7s:n-acetyl
8b:b-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
5:1o(6+1)6d
6:6d(2+1)7n
7:6o(4+1)8d

GWS

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

Glycam

DGlcpNAcb1-3DGalpb1-3[DGalpb1-4DGlcpNAcb1-6]DGalpNAca1-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[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)NC(=O)C)O)NC(=O)C)CO)O)CO)O)O

InCHI key

UINXNLRKJCCKRV-QQJOIHTKSA-N

InCHI

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