Core 4 glycan structure

Cross-references

GlyTouCan : G01744JD

GlyGen : G01744JD

ChEBI : 146564

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Composition

Hex:2 HexNAc:3 dHex:4

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IUPAC

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

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dglc-HEX-1:5
4s:n-acetyl
5b:a-lgal-HEX-1:5|6:d
6b:b-dgal-HEX-1:5
7b:a-lgal-HEX-1:5|6:d
8b:b-dglc-HEX-1:5
9s:n-acetyl
10b:a-lgal-HEX-1:5|6:d
11b:b-dgal-HEX-1:5
12b:a-lgal-HEX-1:5|6:d
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3d(2+1)4n
4:3o(3+1)5d
5:3o(4+1)6d
6:6o(2+1)7d
7:1o(6+1)8d
8:8d(2+1)9n
9:8o(3+1)10d
10:8o(4+1)11d
11:11o(2+1)12d

GWS

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

Glycam

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

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)CO)OC[C@@H]5[C@@H]([C@@H]([C@H]([C@H](O5)O)NC(=O)C)O[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[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O)O[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)O)O)O)NC(=O)C)O)NC(=O)C)O)O)O

InCHI key

JKJNIGWRRMSFSS-RRTSWPEISA-N

InCHI

InChI=1S/C60H101N3O42/c1-13-28(71)35(78)41(84)55(90-13)102-48-26(62-18(6)69)53(97-22(10-66)45(48)99-59-50(39(82)32(75)20(8-64)95-59)104-57-43(86)37(80)30(73)15(3)92-57)89-12-24-34(77)47(25(52(88)94-24)61-17(5)68)101-54-27(63-19(7)70)49(103-56-42(85)36(79)29(72)14(2)91-56)46(23(11-67)98-54)100-60-51(40(83)33(76)21(9-65)96-60)105-58-44(87)38(81)31(74)16(4)93-58/h13-16,20-60,64-67,71-88H,8-12H2,1-7H3,(H,61,68)(H,62,69)(H,63,70)/t13-,14-,15-,16-,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+,49+,50+,51+,52-,53+,54-,55-,56-,57-,58-,59-,60-/m0/s1