Complex glycan structure

Cross-references

GlyTouCan : G66282NU

GlyGen : G66282NU

ChEBI : 152762

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Composition

Hex:6 HexNAc:5 NeuAc:2

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IUPAC

NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)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(6+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(6+2)19d
19:19d(5+1)20n

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man(--3a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--4b1D-GlcNAc,p--4b1D-Gal,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-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)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)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[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)CO)O)O)CO)O)O)O)O

InCHI key

QEKBMUHRNRESAN-NUBBTIDJSA-N

InCHI

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