Core 3 glycan structure

Cross-references

GlyTouCan : G63329SO

GlyGen : G63329SO

ChEBI : 152653

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Composition

Hex:1 HexNAc:2 NeuGc:1

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IUPAC

Gal(b1-4)GlcNAc(b1-3)[NeuGc(a2-6)]GalNAc

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,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)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O)O)NC(=O)C)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O

InCHI key

IRLOQHLRXZSXSO-RYZLWJGYSA-N

InCHI

InChI=1S/C33H55N3O25/c1-9(41)34-18-23(49)26(59-31-25(51)24(50)21(47)13(5-38)57-31)14(6-39)58-30(18)60-27-19(35-10(2)42)29(52)56-15(22(27)48)8-55-33(32(53)54)3-11(43)17(36-16(45)7-40)28(61-33)20(46)12(44)4-37/h11-15,17-31,37-40,43-44,46-52H,3-8H2,1-2H3,(H,34,41)(H,35,42)(H,36,45)(H,53,54)/t11-,12+,13+,14+,15+,17+,18+,19+,20+,21-,22-,23+,24-,25+,26+,27+,28+,29-,30-,31-,33+/m0/s1