Complex glycan structure

Cross-references

GlyTouCan : G89941FZ

GlyGen : G89941FZ

ChEBI : 154705

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Composition

Hex:3 HexNAc:6 dHex:1 NeuAc:2

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IUPAC

NeuAc(a2-6)GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-6)GalNAc(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-dgal-HEX-1:5
10s:n-acetyl
11b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
12s:n-acetyl
13b:a-dman-HEX-1:5
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b:b-dgal-HEX-1:5
17s:n-acetyl
18b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
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(6+2)11d
11:11d(5+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(6+2)18d
18:18d(5+1)19n
19:1o(6+1)20d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-GalNAc,p--6a2D-NeuAc,p)--6a1Man--2b1D-GlcNAc,p--4b1D-GalNAc,p--6a2D-NeuAc,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[C@@]8(C[C@@H]([C@H]([C@@H](O8)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)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[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)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

MAWMCXBKFZRLED-OSSJZRMUSA-N

InCHI

InChI=1S/C94H154N8O66/c1-23-53(122)67(136)70(139)87(150-23)146-20-44-75(63(132)47(81(141)151-44)97-26(4)112)162-84-50(100-29(7)115)66(135)74(40(18-109)154-84)163-88-71(140)78(164-90-80(69(138)57(126)37(15-106)153-90)166-86-52(102-31(9)117)65(134)73(39(17-108)156-86)161-83-49(99-28(6)114)62(131)59(128)43(158-83)22-149-94(92(144)145)11-33(119)46(96-25(3)111)77(168-94)55(124)35(121)13-104)60(129)41(159-88)19-147-89-79(68(137)56(125)36(14-105)152-89)165-85-51(101-30(8)116)64(133)72(38(16-107)155-85)160-82-48(98-27(5)113)61(130)58(127)42(157-82)21-148-93(91(142)143)10-32(118)45(95-24(2)110)76(167-93)54(123)34(120)12-103/h23,32-90,103-109,118-141H,10-22H2,1-9H3,(H,95,110)(H,96,111)(H,97,112)(H,98,113)(H,99,114)(H,100,115)(H,101,116)(H,102,117)(H,142,143)(H,144,145)/t23-,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-,89-,90+,93+,94+/m0/s1