Core 2 glycan structure

Cross-references

GlyTouCan : G25538MM

GlyGen : G25538MM

ChEBI : 148466

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Composition

Hex:3 HexNAc:3 dHex:1

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IUPAC

Fuc(a1-2)Gal(b1-3)GlcNAc(b1-3)Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]GalNAc

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--3b1D-GlcNAc,p--3b1D-Gal,p--2a1L-Fuc,p)--6b1D-GlcNAc,p--4b1D-Gal,p$MONO,Und,0,0,freeEnd

Glycam

LFucpa1-2DGalpb1-3DGlcpNAcb1-3DGalpb1-3[DGalpb1-4DGlcpNAcb1-6]DGalpNAca1-OH

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H]([C@H](O[C@@H]([C@@H]5O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)NC(=O)C)O)NC(=O)C)CO)O)NC(=O)C)CO)O)O)O)O)O

InCHI key

LJDCJZYKDZIDIQ-BTSYNSPWSA-N

InCHI

InChI=1S/C48H81N3O35/c1-11-24(60)31(67)34(70)45(75-11)86-41-33(69)26(62)16(6-53)80-48(41)84-39-23(51-14(4)59)44(77-17(7-54)27(39)63)85-40-28(64)18(8-55)79-47(36(40)72)83-38-22(50-13(3)58)42(73)76-20(29(38)65)10-74-43-21(49-12(2)57)30(66)37(19(9-56)81-43)82-46-35(71)32(68)25(61)15(5-52)78-46/h11,15-48,52-56,60-73H,5-10H2,1-4H3,(H,49,57)(H,50,58)(H,51,59)/t11-,15+,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-,45-,46-,47-,48-/m0/s1