Core 1 glycan structure

Cross-references

GlyTouCan : G42797SX

GlyGen : G42797SX

ChEBI : 150762

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Composition

Hex:1 HexNAc:2 NeuAc:1

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IUPAC

GalNAc(b1-4)[NeuAc(a2-3)]Gal(b1-3)GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
5s:n-acetyl
6b:b-dgal-HEX-1:5
7s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(3+2)4d
4:4d(5+1)5n
5:3o(4+1)6d
6:6d(2+1)7n

GWS

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

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)CO)O[C@@H]4[C@H]([C@H](O[C@@H]([C@@H]4O)CO)O)NC(=O)C)O)O

InCHI key

ITZOANNFSIFPIY-BSRWPGDMSA-N

InCHI

InChI=1S/C33H55N3O24/c1-9(41)34-17-12(44)4-33(32(52)53,59-27(17)20(46)13(45)5-37)60-28-24(50)31(58-26-19(36-11(3)43)29(51)54-15(7-39)22(26)48)56-16(8-40)25(28)57-30-18(35-10(2)42)23(49)21(47)14(6-38)55-30/h12-31,37-40,44-51H,4-8H2,1-3H3,(H,34,41)(H,35,42)(H,36,43)(H,52,53)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24+,25-,26+,27+,28+,29-,30-,31-,33-/m0/s1