Core 1 glycan structure

Cross-references

GlyTouCan : G29644TC

GlyGen : G29644TC

ChEBI : 148754

UniCarb-DB :

• 2611

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Composition

Hex:2 HexNAc:3

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IUPAC

GlcNAc(b1-3)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:b-dglc-HEX-1:5
8s:n-acetyl
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
7:7d(2+1)8n

GWS

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

Glycam

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

InCHI key

XAXFANRZMQCNAN-MLMLSHIHSA-N

InCHI

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