No-core glycan structure

Cross-references

GlyTouCan : G63197YJ

GlyGen : G63197YJ

ChEBI : 152636

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Composition

HexNAc:2 HexA:2

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IUPAC

GlcA(b1-3)GalNAc(b1-4)GlcA(b1-3)GalNAc

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,p--3b1GlcA--4b1D-GalNAc,p--3b1GlcA$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]([C@@H](O[C@@H]2C(=O)O)O[C@H]3[C@H]([C@H](OC([C@@H]3NC(=O)C)O)CO)O)O)O)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O

InCHI key

KIUKXJAPPMFGSW-LSQNCMKDSA-N

InCHI

InChI=1S/C28H44N2O23/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11+,12+,13+,14+,15-,16-,17-,18-,19-,20+,21+,22+,25?,26+,27-,28-/m1/s1