No-core glycan structure

Cross-references

GlyTouCan : G53957WR

GlyGen : G53957WR

ChEBI : 151773

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Composition

Hex:1 HexNAc:1 NeuAc:2

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IUPAC

NeuAc(a2-8)NeuAc(a2-3)Gal(b1-4)GlcNAc

GlycoCT

RES
1b:b-dglc-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-acetyl
LIN
1:1d(2+1)2n
2:1o(4+1)3d
3:3o(3+2)4d
4:4d(5+1)5n
5:4o(8+2)6d
6:6d(5+1)7n

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p--8a2D-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[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)(C(=O)O)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)NC(=O)C)O)CO)CO)O)O

InCHI key

KDBMBIBKXFYIJT-ZDRPUWQQSA-N

InCHI

InChI=1S/C36H59N3O27/c1-10(44)37-19-13(47)4-35(33(56)57,64-28(19)22(50)15(49)6-40)63-17(8-42)24(52)29-20(38-11(2)45)14(48)5-36(65-29,34(58)59)66-30-23(51)16(7-41)61-32(26(30)54)62-27-18(9-43)60-31(55)21(25(27)53)39-12(3)46/h13-32,40-43,47-55H,4-9H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)(H,56,57)(H,58,59)/t13-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23-,24+,25+,26+,27+,28+,29+,30-,31+,32-,35+,36-/m0/s1