Core 1 glycan structure

Cross-references

GlyTouCan : G01316HN

GlyGen : G01316HN

ChEBI : 146477

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Composition

Hex:3 HexNAc:3

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IUPAC

Gal(b1-3)GlcNAc(b1-3)Gal(b1-3)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
9b: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
5:4o(3+1)6d
6:6o(3+1)7d
7:7d(2+1)8n
8:7o(3+1)9d

GWS

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

Glycam

DGalpb1-3DGlcpNAcb1-3DGalpb1-3DGlcpNAcb1-3DGalpb1-3DGalpNAca1-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[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[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)NC(=O)C)O)NC(=O)C)O

InCHI key

SDTLLDPRZQRFRK-CFHSHHKLSA-N

InCHI

InChI=1S/C42H71N3O31/c1-10(52)43-19-32(23(56)14(5-47)66-37(19)65)72-41-30(63)35(26(59)17(8-50)70-41)75-39-21(45-12(3)54)34(25(58)16(7-49)68-39)74-42-31(64)36(27(60)18(9-51)71-42)76-38-20(44-11(2)53)33(24(57)15(6-48)67-38)73-40-29(62)28(61)22(55)13(4-46)69-40/h13-42,46-51,55-65H,4-9H2,1-3H3,(H,43,52)(H,44,53)(H,45,54)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26+,27+,28+,29-,30-,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42+/m1/s1