Complex glycan structure

Cross-references

GlyTouCan : G99770NO

GlyGen : G99770NO

ChEBI : 155768

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Composition

Hex:6 HexNAc:6 dHex:1

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IUPAC

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

GlycoCT

RES
1b:b-dglc-HEX-1:5
2s:n-acetyl
3b:b-dglc-HEX-1:5
4s:n-acetyl
5b:b-dman-HEX-1:5
6b:a-dman-HEX-1:5
7b:b-dglc-HEX-1:5
8s:n-acetyl
9b:b-dgal-HEX-1:5
10b:b-dglc-HEX-1:5
11s:n-acetyl
12b:a-dman-HEX-1:5
13b:b-dglc-HEX-1:5
14s:n-acetyl
15b:b-dgal-HEX-1:5
16b:b-dglc-HEX-1:5
17s:n-acetyl
18b:b-dgal-HEX-1:5
19b:a-lgal-HEX-1:5|6:d
LIN
1:1d(2+1)2n
2:1o(4+1)3d
3:3d(2+1)4n
4:3o(4+1)5d
5:5o(3+1)6d
6:6o(2+1)7d
7:7d(2+1)8n
8:7o(4+1)9d
9:5o(4+1)10d
10:10d(2+1)11n
11:5o(6+1)12d
12:12o(2+1)13d
13:13d(2+1)14n
14:13o(4+1)15d
15:12o(6+1)16d
16:16d(2+1)17n
17:16o(4+1)18d
18:1o(6+1)19d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man((--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p)--4b1D-GlcNAc,p)--6a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p)--6b1D-GlcNAc,p--4b1D-Gal,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGlcpNAcb1-4][DGalpb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-6]DManpa1-6]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)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)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)NC(=O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

DCYMMQLBRXGAED-GWUNEWFWSA-N

InCHI

InChI=1S/C90H150N6O65/c1-20-45(112)58(125)64(131)84(140-20)138-18-37-73(53(120)39(78(136)141-37)91-21(2)106)153-81-42(94-24(5)109)55(122)72(35(16-105)148-81)157-88-68(135)75(159-90-77(62(129)50(117)31(12-101)146-90)161-83-44(96-26(7)111)57(124)71(34(15-104)150-83)156-87-67(134)61(128)49(116)30(11-100)145-87)74(158-80-40(92-22(3)107)52(119)46(113)27(8-97)142-80)38(152-88)19-139-89-76(160-82-43(95-25(6)110)56(123)70(33(14-103)149-82)155-86-66(133)60(127)48(115)29(10-99)144-86)63(130)51(118)36(151-89)17-137-79-41(93-23(4)108)54(121)69(32(13-102)147-79)154-85-65(132)59(126)47(114)28(9-98)143-85/h20,27-90,97-105,112-136H,8-19H2,1-7H3,(H,91,106)(H,92,107)(H,93,108)(H,94,109)(H,95,110)(H,96,111)/t20-,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-,61-,62-,63-,64-,65+,66+,67+,68-,69+,70+,71+,72+,73+,74+,75+,76-,77-,78+,79+,80-,81-,82-,83-,84+,85-,86-,87-,88-,89-,90+/m0/s1