Complex glycan structure

Cross-references

GlyTouCan : G75280ZD

GlyGen : G75280ZD

ChEBI : 153980

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Composition

Hex:6 HexNAc:4 NeuAc:3

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IUPAC

NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)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

GlycoCT

RES
1b:b-dglc-HEX-1:5
2s:n-acetyl
3b:b-dman-HEX-1:5
4b:a-dman-HEX-1:5
5b:b-dglc-HEX-1:5
6s:n-acetyl
7b:b-dgal-HEX-1:5
8b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
9s:n-acetyl
10b:b-dglc-HEX-1:5
11s:n-acetyl
12b:b-dgal-HEX-1:5
13b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
14s:n-acetyl
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
3:3o(3+1)4d
4:4o(2+1)5d
5:5d(2+1)6n
6:5o(4+1)7d
7:7o(6+2)8d
8:8d(5+1)9n
9:4o(4+1)10d
10:10d(2+1)11n
11:10o(4+1)12d
12:12o(6+2)13d
13:13d(5+1)14n
14:3o(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--4b1Man(--3a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--4b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,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](O[C@@H]([C@H]([C@H]4O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO[C@@]7(C[C@@H]([C@H]([C@@H](O7)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O)NC(=O)C)O[C@H]8[C@@H]([C@H](O[C@H]([C@H]8O)O[C@@H]9[C@H](O[C@H]([C@@H]([C@H]9O)NC(=O)C)O)CO)CO[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)CO)CO)O)O)O)O

InCHI key

GHWNUBWXRKWDTG-ODZWHKSBSA-N

InCHI

InChI=1S/C101H165N7O75/c1-24(118)102-47-31(125)8-99(96(153)154,181-80(47)54(131)34(128)11-109)160-21-44-58(135)66(143)70(147)90(170-44)174-76-39(16-114)165-87(51(63(76)140)106-28(5)122)173-79-42(19-117)168-95(85(73(79)150)180-89-53(108-30(7)124)65(142)78(41(18-116)167-89)176-92-72(149)68(145)60(137)46(172-92)23-162-101(98(157)158)10-33(127)49(104-26(3)120)82(183-101)56(133)36(130)13-111)178-83-61(138)43(169-93(74(83)151)177-75-38(15-113)163-86(152)50(62(75)139)105-27(4)121)20-159-94-84(69(146)57(134)37(14-112)164-94)179-88-52(107-29(6)123)64(141)77(40(17-115)166-88)175-91-71(148)67(144)59(136)45(171-91)22-161-100(97(155)156)9-32(126)48(103-25(2)119)81(182-100)55(132)35(129)12-110/h31-95,109-117,125-152H,8-23H2,1-7H3,(H,102,118)(H,103,119)(H,104,120)(H,105,121)(H,106,122)(H,107,123)(H,108,124)(H,153,154)(H,155,156)(H,157,158)/t31-,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+,99+,100+,101+/m0/s1