Core 1 glycan structure

Loading ...
Loading ...
Loading ...
Loading ...
Loading ...
Loading ...
Export data
SNFG Text Oxford
structure 2531
O-Linked / Core 1 (avg mass : 545.4951)

3D structure from GLYCAM

Cross-references

GlyTouCan : G70693FX

GlyGen : G70693FX

ChEBI : 153526

Composition

Hex:2 HexNAc:1

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