Core 1 glycan structure

Cross-references

GlyTouCan : G01546PE

GlyGen : G01546PE

ChEBI : 146522

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Composition

Hex:2 HexNAc:2 NeuGc:1

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IUPAC

Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)[NeuGc(a2-6)]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:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
8s:n-glycolyl
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
6:1o(6+2)7d
7:7d(5+1)8n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p)--6a2D-NeuGc,p$MONO,Und,0,0,freeEnd

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@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O)O)NC(=O)C)CO)O)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O

InCHI key

HGLOAWQCRYTTCU-SXUBKZINSA-N

InCHI

InChI=1S/C39H65N3O30/c1-10(48)40-20-26(57)30(69-36-28(59)27(58)23(54)14(5-44)66-36)16(7-46)68-35(20)71-33-24(55)15(6-45)67-37(29(33)60)70-31-21(41-11(2)49)34(61)65-17(25(31)56)9-64-39(38(62)63)3-12(50)19(42-18(52)8-47)32(72-39)22(53)13(51)4-43/h12-17,19-37,43-47,50-51,53-61H,3-9H2,1-2H3,(H,40,48)(H,41,49)(H,42,52)(H,62,63)/t12-,13+,14+,15+,16+,17+,19+,20+,21+,22+,23-,24-,25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35-,36-,37-,39+/m0/s1