Core 1 glycan structure

Cross-references

GlyTouCan : G89585FG

GlyGen : G89585FG

ChEBI : 154652

UniCarb-DB :

• 2618
• 2981

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Composition

Hex:3 HexNAc:3

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IUPAC

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

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-3DGalpb1-3DGalpNAca1-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[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O

InCHI key

VOUYKOUBQLQCPA-BCSZDXBPSA-N

InCHI

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