Complex glycan structure

Cross-references

GlyTouCan : G43507KQ

GlyGen : G43507KQ

ChEBI : 150825

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Composition

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

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IUPAC

NeuAc(a2-3)GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)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(3+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(3+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--3a2D-NeuAc,p)--6a1Man--2b1D-GlcNAc,p--4b1D-GalNAc,p--3a2D-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)O)O[C@@]8(C[C@@H]([C@H]([C@@H](O8)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=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)O)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)NC(=O)C)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

OWAGWMMQRXXEHC-XLQUMQBYSA-N

InCHI

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