Complex glycan structure

Cross-references

GlyTouCan : G91023GB

GlyGen : G91023GB

ChEBI : 154957

UniCarb-DB :

• 2247
• 2556

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Composition

Hex:5 HexNAc:5 dHex:1 NeuAc:1

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IUPAC

NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][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: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-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
9:9o(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
17:1o(6+1)18d

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)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

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)O)O)O)NC(=O)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)NC(=O)C)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[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)O)NC(=O)C)O)O)O

InCHI key

ZCNSCTFHLSGIRG-AQOZWEAXSA-N

InCHI

InChI=1S/C87H144N6O63/c1-20-45(110)57(122)62(127)80(137-20)134-17-37-69(53(118)40(75(131)138-37)89-22(3)103)148-77-42(91-24(5)105)54(119)68(35(16-101)143-77)151-83-65(130)72(70(152-76-41(90-23(4)104)52(117)47(112)29(10-95)139-76)38(147-83)18-135-84-73(60(125)49(114)31(12-97)141-84)154-78-43(92-25(6)106)55(120)66(33(14-99)144-78)149-81-63(128)58(123)48(113)30(11-96)140-81)153-85-74(61(126)50(115)32(13-98)142-85)155-79-44(93-26(7)107)56(121)67(34(15-100)145-79)150-82-64(129)59(124)51(116)36(146-82)19-136-87(86(132)133)8-27(108)39(88-21(2)102)71(156-87)46(111)28(109)9-94/h20,27-85,94-101,108-131H,8-19H2,1-7H3,(H,88,102)(H,89,103)(H,90,104)(H,91,105)(H,92,106)(H,93,107)(H,132,133)/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+,87+/m0/s1