Complex glycan structure

Cross-references

GlyTouCan : G50779LX

GlyGen : G50779LX

ChEBI : 87699

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Composition

Hex:5 HexNAc:5 NeuAc:2

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IUPAC

NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)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:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
11s:n-acetyl
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:a-dman-HEX-1:5
15b:b-dglc-HEX-1:5
16s:n-acetyl
17b:b-dgal-HEX-1:5
18b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
19s:n-acetyl
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
9:9o(6+2)10d
10:10d(5+1)11n
11:5o(4+1)12d
12:12d(2+1)13n
13:5o(6+1)14d
14:14o(2+1)15d
15:15d(2+1)16n
16:15o(4+1)17d
17:17o(6+2)18d
18:18d(5+1)19n

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man((--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--4b1D-GlcNAc,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p$MONO,Und,0,0,freeEnd

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)NC(=O)C)O)CO)CO)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)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)CO)O)O)CO)O)O)O)O

InCHI key

VQGGNEZIKMMNBU-HHOMLALYSA-N

InCHI

InChI=1S/C92H151N7O67/c1-22(109)93-43-29(116)8-91(89(140)141,165-74(43)50(120)31(118)10-100)145-20-40-55(125)62(132)66(136)84(154-40)158-70-37(16-106)152-82(48(60(70)130)98-27(6)114)163-77-64(134)53(123)34(13-103)149-87(77)144-19-42-73(161-80-46(96-25(4)112)57(127)52(122)33(12-102)148-80)76(68(138)86(156-42)160-72-39(18-108)151-81(47(59(72)129)97-26(5)113)157-69-36(15-105)147-79(139)45(58(69)128)95-24(3)111)162-88-78(65(135)54(124)35(14-104)150-88)164-83-49(99-28(7)115)61(131)71(38(17-107)153-83)159-85-67(137)63(133)56(126)41(155-85)21-146-92(90(142)143)9-30(117)44(94-23(2)110)75(166-92)51(121)32(119)11-101/h29-88,100-108,116-139H,8-21H2,1-7H3,(H,93,109)(H,94,110)(H,95,111)(H,96,112)(H,97,113)(H,98,114)(H,99,115)(H,140,141)(H,142,143)/t29-,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+,91+,92+/m0/s1