Structure

Cross-references

GlyTouCan : G49527BY

GlyGen : G49527BY

ChEBI : -

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Composition

Hex:1 HexNAc:1 NeuAc:1 NeuGc:1

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IUPAC

NeuAc(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-acetyl
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-NeuAc,p)--6a2D-NeuGc,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)O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO[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)NC(=O)C)CO)O)O

InCHI key

DWBZWHCDJPWJFA-GMCYKAACSA-N

InCHI

InChI=1S/C36H59N3O28/c1-10(44)37-19-13(47)4-36(34(59)60,66-28(19)22(51)14(48)5-40)67-30-24(53)16(7-42)63-32(26(30)55)64-27-21(38-11(2)45)31(56)62-17(25(27)54)9-61-35(33(57)58)3-12(46)20(39-18(50)8-43)29(65-35)23(52)15(49)6-41/h12-17,19-32,40-43,46-49,51-56H,3-9H2,1-2H3,(H,37,44)(H,38,45)(H,39,50)(H,57,58)(H,59,60)/t12-,13-,14+,15+,16+,17+,19+,20+,21+,22+,23+,24-,25-,26+,27+,28+,29+,30-,31-,32-,35+,36-/m0/s1