Core 2 glycan structure

Cross-references

GlyTouCan : G34764BK

GlyGen : G34764BK

ChEBI : 150152

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Composition

Hex:2 HexNAc:4

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IUPAC

GlcNAc(a1-4)Gal(b1-4)GlcNAc(b1-6)[GlcNAc(a1-4)Gal(b1-3)]GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:a-dglc-HEX-1:5
5s:n-acetyl
6b:b-dglc-HEX-1:5
7s:n-acetyl
8b:b-dgal-HEX-1:5
9b:a-dglc-HEX-1:5
10s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(4+1)4d
4:4d(2+1)5n
5:1o(6+1)6d
6:6d(2+1)7n
7:6o(4+1)8d
8:8o(4+1)9d
9:9d(2+1)10n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--4a1D-GlcNAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--4a1D-GlcNAc,p$MONO,Und,0,0,freeEnd

Glycam

DGlcpNAca1-4DGalpb1-3[DGlcpNAca1-4DGalpb1-4DGlcpNAcb1-6]DGalpNAca1-OH

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)O)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)O)O)CO)CO)CO)O)O

InCHI key

WVKHXQMLRNKEPD-VDBWWPBVSA-N

InCHI

InChI=1S/C44H74N4O31/c1-11(54)45-21-28(61)25(58)15(5-49)71-41(21)76-36-18(8-52)74-43(33(66)31(36)64)78-35-17(7-51)73-40(23(30(35)63)47-13(3)56)69-10-20-27(60)38(24(39(68)70-20)48-14(4)57)79-44-34(67)32(65)37(19(9-53)75-44)77-42-22(46-12(2)55)29(62)26(59)16(6-50)72-42/h15-44,49-53,58-68H,5-10H2,1-4H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38-,39+,40-,41-,42-,43+,44+/m1/s1