Complex glycan structure

Cross-references

GlyTouCan : G54986EB

GlyGen : G54986EB

ChEBI : 151219

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Composition

Hex:3 HexNAc:8 dHex:1

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IUPAC

GalNAc(b1-4)GlcNAc(b1-4)GlcNAc(b1-2)Man(a1-3)[GalNAc(b1-4)GlcNAc(b1-4)GlcNAc(b1-2)Man(a1-6)]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-dglc-HEX-1:5
10s:n-acetyl
11b:b-dgal-HEX-1:5
12s:n-acetyl
13b:a-dman-HEX-1:5
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b:b-dglc-HEX-1:5
17s:n-acetyl
18b:b-dgal-HEX-1:5
19s:n-acetyl
20b: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
9:9d(2+1)10n
10:9o(4+1)11d
11:11d(2+1)12n
12:5o(6+1)13d
13:13o(2+1)14d
14:14d(2+1)15n
15:14o(4+1)16d
16:16d(2+1)17n
17:16o(4+1)18d
18:18d(2+1)19n
19:1o(6+1)20d

GWS

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

Glycam

DGalpNAcb1-4DGlcpNAcb1-4DGlcpNAcb1-2DManpa1-3[DGalpNAcb1-4DGlcpNAcb1-4DGlcpNAcb1-2DManpa1-6]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)O)O)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[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)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[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

FMSNZGADHDYBMN-OFZPVYMESA-N

InCHI

InChI=1S/C88H146N8O60/c1-21-49(114)63(128)66(131)85(136-21)134-20-40-73(57(122)41(77(133)137-40)89-22(2)106)152-82-46(94-27(7)111)62(127)72(38(18-105)144-82)153-86-67(132)74(154-88-76(65(130)53(118)33(13-100)141-88)156-84-48(96-29(9)113)61(126)71(37(17-104)146-84)151-81-45(93-26(6)110)59(124)69(35(15-102)143-81)149-79-43(91-24(4)108)56(121)51(116)31(11-98)139-79)54(119)39(147-86)19-135-87-75(64(129)52(117)32(12-99)140-87)155-83-47(95-28(8)112)60(125)70(36(16-103)145-83)150-80-44(92-25(5)109)58(123)68(34(14-101)142-80)148-78-42(90-23(3)107)55(120)50(115)30(10-97)138-78/h21,30-88,97-105,114-133H,10-20H2,1-9H3,(H,89,106)(H,90,107)(H,91,108)(H,92,109)(H,93,110)(H,94,111)(H,95,112)(H,96,113)/t21-,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+/m0/s1