Structure

Cross-references

GlyTouCan : G78519JI

GlyGen : G78519JI

ChEBI : 154042

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Composition

Hex:5 HexNAc:5 dHex:3 NeuAc:1

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IUPAC

Fuc(a1-2)Gal(b1-3)GlcNAc(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:b-dglc-HEX-1:5
5s:n-acetyl
6b:b-dgal-HEX-1:5
7b:b-dglc-HEX-1:5
8s:n-acetyl
9b:b-dgal-HEX-1:5
10b:a-lgal-HEX-1:5|6:d
11b:b-dglc-HEX-1:5
12s:n-acetyl
13b:b-dgal-HEX-1:5
14b:a-lgal-HEX-1:5|6:d
15b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
16s:n-acetyl
17b:b-dglc-HEX-1:5
18s:n-acetyl
19b:b-dgal-HEX-1:5
20b:a-lgal-HEX-1:5|6:d
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(3+1)4d
4:4d(2+1)5n
5:4o(4+1)6d
6:6o(3+1)7d
7:7d(2+1)8n
8:7o(3+1)9d
9:9o(2+1)10d
10:6o(6+1)11d
11:11d(2+1)12n
12:11o(4+1)13d
13:13o(2+1)14d
14:3o(6+2)15d
15:15d(5+1)16n
16:1o(6+1)17d
17:17d(2+1)18n
18:17o(4+1)19d
19:19o(2+1)20d

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p--3b1D-Gal,p--2a1L-Fuc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--2a1L-Fuc,p)--6a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--2a1L-Fuc,p$MONO,Und,0,0,freeEnd

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)O)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO[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[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O)NC(=O)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)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)C)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)CO)CO)O)O)O)O)O

InCHI key

NEJSXGHOFKAIEY-HRKWRHRVSA-N

InCHI

InChI=1S/C99H164N6O71/c1-22-49(122)63(136)69(142)90(153-22)173-82-66(139)53(126)33(12-107)158-95(82)167-75-37(16-111)161-86(44(60(75)133)101-26(5)115)150-19-40-57(130)77(47(85(147)156-40)104-29(8)118)169-94-73(146)81(59(132)42(165-94)21-152-99(98(148)149)10-31(120)43(100-25(4)114)79(176-99)52(125)32(121)11-106)171-88-46(103-28(7)117)62(135)74(39(18-113)163-88)166-93-72(145)80(172-89-48(105-30(9)119)78(56(129)36(15-110)157-89)170-97-84(68(141)55(128)35(14-109)160-97)175-92-71(144)65(138)51(124)24(3)155-92)58(131)41(164-93)20-151-87-45(102-27(6)116)61(134)76(38(17-112)162-87)168-96-83(67(140)54(127)34(13-108)159-96)174-91-70(143)64(137)50(123)23(2)154-91/h22-24,31-97,106-113,120-147H,10-21H2,1-9H3,(H,100,114)(H,101,115)(H,102,116)(H,103,117)(H,104,118)(H,105,119)(H,148,149)/t22-,23-,24-,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