Core 1 glycan structure

Cross-references

GlyTouCan : G85079IJ

GlyGen : G85079IJ

ChEBI : 155033

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Composition

Hex:1 HexNAc:1 NeuGc:2

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IUPAC

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

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--3a2D-NeuGc,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)CO[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[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

InCHI key

PZFXQTGXQQHXKX-HRBHIDLJSA-N

InCHI

InChI=1S/C36H59N3O29/c1-10(45)37-21-27(25(55)16(63-31(21)57)9-62-35(33(58)59)2-11(46)19(38-17(50)7-43)28(66-35)22(52)13(48)4-40)65-32-26(56)30(24(54)15(6-42)64-32)68-36(34(60)61)3-12(47)20(39-18(51)8-44)29(67-36)23(53)14(49)5-41/h11-16,19-32,40-44,46-49,52-57H,2-9H2,1H3,(H,37,45)(H,38,50)(H,39,51)(H,58,59)(H,60,61)/t11-,12-,13+,14+,15+,16+,19+,20+,21+,22+,23+,24-,25-,26+,27+,28+,29+,30-,31-,32-,35+,36-/m0/s1