Complex glycan structure

Cross-references

GlyTouCan : G33608TH

GlyGen : G33608TH

ChEBI : 149365

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Composition

Hex:6 HexNAc:5 dHex:2 NeuAc:1

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IUPAC

Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]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:a-dman-HEX-1:5
13b:b-dglc-HEX-1:5
14s:n-acetyl
15b:b-dgal-HEX-1:5
16b:b-dglc-HEX-1:5
17s:n-acetyl
18b:a-lgal-HEX-1:5|6:d
19b:b-dgal-HEX-1:5
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
9:9o(6+2)10d
10:10d(5+1)11n
11:5o(6+1)12d
12:12o(2+1)13d
13:13d(2+1)14n
14:13o(4+1)15d
15:15o(3+1)16d
16:16d(2+1)17n
17:16o(3+1)18d
18:16o(4+1)19d
19:1o(6+1)20d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p(--3a1L-Fuc,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[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)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

FBKYPMWPLBBLBJ-XZLZVYHOSA-N

InCHI

InChI=1S/C99H164N6O72/c1-22-49(123)62(136)68(142)90(154-22)151-20-42-77(58(132)44(85(148)156-42)101-25(4)116)167-86-45(102-26(5)117)59(133)76(37(16-112)161-86)170-95-73(147)82(174-97-84(67(141)54(128)34(13-109)160-97)176-88-47(104-28(7)119)60(134)74(36(15-111)163-88)168-93-71(145)65(139)55(129)41(166-93)21-153-99(98(149)150)9-30(121)43(100-24(3)115)79(177-99)51(125)31(122)10-106)57(131)40(165-95)19-152-96-83(66(140)53(127)33(12-108)159-96)175-87-46(103-27(6)118)61(135)75(38(17-113)162-87)169-94-72(146)81(56(130)35(14-110)158-94)173-89-48(105-29(8)120)80(172-91-69(143)63(137)50(124)23(2)155-91)78(39(18-114)164-89)171-92-70(144)64(138)52(126)32(11-107)157-92/h22-23,30-97,106-114,121-148H,9-21H2,1-8H3,(H,100,115)(H,101,116)(H,102,117)(H,103,118)(H,104,119)(H,105,120)(H,149,150)/t22-,23-,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+,86-,87-,88-,89-,90+,91-,92-,93-,94-,95-,96-,97+,99+/m0/s1