Complex glycan structure

Cross-references

GlyTouCan : G82811EP

GlyGen : G82811EP

ChEBI : 154453

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Composition

Hex:6 HexNAc:5 NeuAc:1 Su:1

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IUPAC

HSO3(-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
15s:sulfate
16b:a-dman-HEX-1:5
17b:b-dglc-HEX-1:5
18s:n-acetyl
19b: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+1)15n
15:5o(6+1)16d
16:16o(2+1)17d
17:17d(2+1)18n
18:17o(4+1)19d

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1D-Man,p(--3a1D-Man,p(--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--4b1D-GlcNAc,p--4b1D-Gal,p--3?1S)--6a1D-Man,p--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)OS(=O)(=O)O)O)O)NC(=O)C)O)CO)O)O)O)O

InCHI key

NBECLXPHEXLMGO-KXXAVDPBSA-N

InCHI

InChI=1S/C87H144N6O67S/c1-20(104)88-39-26(110)7-87(86(132)133,159-70(39)45(112)27(111)8-94)138-19-38-48(115)57(124)60(127)81(149-38)153-66-33(14-100)146-79(44(55(66)122)93-25(6)109)158-74-61(128)69(151-77-42(91-23(4)107)53(120)68(35(16-102)144-77)155-83-63(130)72(160-161(134,135)136)49(116)30(11-97)141-83)36(17-103)147-85(74)156-71-50(117)37(148-82(62(71)129)154-67-34(15-101)143-76(41(52(67)119)90-22(3)106)150-64-31(12-98)139-75(131)40(51(64)118)89-21(2)105)18-137-84-73(58(125)47(114)29(10-96)142-84)157-78-43(92-24(5)108)54(121)65(32(13-99)145-78)152-80-59(126)56(123)46(113)28(9-95)140-80/h26-85,94-103,110-131H,7-19H2,1-6H3,(H,88,104)(H,89,105)(H,90,106)(H,91,107)(H,92,108)(H,93,109)(H,132,133)(H,134,135,136)/t26-,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+,87+/m0/s1