Complex glycan structure

Cross-references

GlyTouCan : G40554DX

GlyGen : G40554DX

ChEBI : 150166

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Composition

Hex:6 HexNAc:6 NeuAc:2

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IUPAC

GalNAc(b1-4)[NeuAc(a2-3)]Gal(b1-4)GlcNAc(b1-4)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]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:b-dgal-HEX-1:5
15b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
16s:n-acetyl
17b:b-dgal-HEX-1:5
18s:n-acetyl
19b:a-dman-HEX-1:5
20b:b-dglc-HEX-1:5
21s:n-acetyl
22b:b-dgal-HEX-1:5
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
11:6o(4+1)12d
12:12d(2+1)13n
13:12o(4+1)14d
14:14o(3+2)15d
15:15d(5+1)16n
16:14o(4+1)17d
17:17d(2+1)18n
18:5o(6+1)19d
19:19o(2+1)20d
20:20d(2+1)21n
21:20o(4+1)22d

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man(--3a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--4b1D-GlcNAc,p--4b1D-Gal,p(--3a2D-NeuAc,p)--4b1D-GalNAc,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,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]4O[C@H]5[C@@H]([C@H](O[C@H]([C@H]5O)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)CO[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)O)O)O)O)NC(=O)C)O)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[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)O[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)NC(=O)C)O)CO)O)O)O)O

InCHI key

HSRSYBCXPBQJMT-NCQDDLKQSA-N

InCHI

InChI=1S/C106H174N8O77/c1-25(127)107-49-33(135)9-105(103(161)162,189-85(49)57(139)35(137)11-115)166-24-48-62(144)71(153)74(156)98(178-48)182-80-42(18-122)174-96(56(69(80)151)114-32(8)134)188-90-75(157)83(180-94-54(112-30(6)132)67(149)82(44(20-124)172-94)184-100-77(159)88(84(46(22-126)175-100)185-92-52(110-28(4)130)64(146)59(141)37(13-117)168-92)191-106(104(163)164)10-34(136)50(108-26(2)128)86(190-106)58(140)36(138)12-116)45(21-125)176-102(90)186-87-63(145)47(177-99(76(87)158)183-81-43(19-123)171-93(53(66(81)148)111-29(5)131)179-78-40(16-120)167-91(160)51(65(78)147)109-27(3)129)23-165-101-89(72(154)61(143)39(15-119)170-101)187-95-55(113-31(7)133)68(150)79(41(17-121)173-95)181-97-73(155)70(152)60(142)38(14-118)169-97/h33-102,115-126,135-160H,9-24H2,1-8H3,(H,107,127)(H,108,128)(H,109,129)(H,110,130)(H,111,131)(H,112,132)(H,113,133)(H,114,134)(H,161,162)(H,163,164)/t33-,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-,91+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102+,105+,106-/m0/s1