Complex glycan structure

Cross-references

GlyTouCan : G53812BX

GlyGen : G53812BX

ChEBI : 151755

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Composition

Hex:6 HexNAc:5 NeuAc:2

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IUPAC

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

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man(--3a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--4b1D-GlcNAc,p--4b1D-Gal,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p$MONO,Und,0,0,freeEnd

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)NC(=O)C)O)CO)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[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)NC(=O)C)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)O)O)NC(=O)C)O)CO)O)O)CO)CO)O)O

InCHI key

GNIMEVSGZOKTGN-JEDYFYLLSA-N

InCHI

InChI=1S/C98H161N7O72/c1-23(118)99-45-30(125)8-97(95(149)150,174-77(45)52(129)32(127)10-106)176-80-56(133)36(14-110)156-91(69(80)146)169-74-41(19-115)161-87(50(62(74)139)104-28(6)123)172-82-65(142)55(132)35(13-109)158-93(82)153-22-44-58(135)79(68(145)90(164-44)168-73-40(18-114)159-85(48(61(73)138)102-26(4)121)165-71-38(16-112)154-84(148)47(59(71)136)101-25(3)120)171-94-83(67(144)76(43(21-117)163-94)166-86-49(103-27(5)122)60(137)72(39(17-113)160-86)167-89-66(143)64(141)54(131)34(12-108)155-89)173-88-51(105-29(7)124)63(140)75(42(20-116)162-88)170-92-70(147)81(57(134)37(15-111)157-92)177-98(96(151)152)9-31(126)46(100-24(2)119)78(175-98)53(130)33(128)11-107/h30-94,106-117,125-148H,8-22H2,1-7H3,(H,99,118)(H,100,119)(H,101,120)(H,102,121)(H,103,122)(H,104,123)(H,105,124)(H,149,150)(H,151,152)/t30-,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+,97-,98-/m0/s1