Core 1 glycan structure

Cross-references

GlyTouCan : G47573PO

GlyGen : G47573PO

ChEBI : 151368

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Composition

Hex:1 HexNAc:1 NeuAc:1 Su:1

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IUPAC

HSO3(-6)Gal(b1-3)[NeuAc(a2-6)]GalNAc

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--6?1S)--6a2D-NeuAc,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)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COS(=O)(=O)O)O)O)O)O)O

InCHI key

XWHPNKBMDJVMNP-KAISWPRVSA-N

InCHI

InChI=1S/C25H42N2O22S/c1-7(29)26-13-9(31)3-25(24(39)40,49-21(13)15(33)10(32)4-28)44-5-11-17(35)20(14(22(38)46-11)27-8(2)30)48-23-19(37)18(36)16(34)12(47-23)6-45-50(41,42)43/h9-23,28,31-38H,3-6H2,1-2H3,(H,26,29)(H,27,30)(H,39,40)(H,41,42,43)/t9-,10+,11+,12+,13+,14+,15+,16-,17-,18-,19+,20+,21+,22-,23-,25+/m0/s1