Complex glycan structure

Cross-references

GlyTouCan : G15859AU

GlyGen : G15859AU

ChEBI : 148028

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Composition

Hex:5 HexNAc:6 dHex:1 NeuAc:3

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IUPAC

NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-6)]Man(a1-6)[NeuAc(a2-3)GalNAc(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
10s:n-acetyl
11b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
12s:n-acetyl
13b:a-dman-HEX-1:5
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b:b-dgal-HEX-1:5
17b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
18s:n-acetyl
19b:b-dglc-HEX-1:5
20s:n-acetyl
21b:b-dgal-HEX-1:5
22b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
23s:n-acetyl
24b: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
9:9d(2+1)10n
10:9o(3+2)11d
11:11d(5+1)12n
12:5o(6+1)13d
13:13o(2+1)14d
14:14d(2+1)15n
15:14o(3+1)16d
16:16o(3+2)17d
17:17d(5+1)18n
18:13o(6+1)19d
19:19d(2+1)20n
20:19o(3+1)21d
21:21o(3+2)22d
22:22d(5+1)23n
23:1o(6+1)24d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-GalNAc,p--3a2D-NeuAc,p)--6a1Man(--2b1D-GlcNAc,p--3b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p--3b1D-Gal,p--3a2D-NeuAc,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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@@]8(C[C@@H]([C@H]([C@@H](O8)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)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)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)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)NC(=O)C)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

XEGZBTHKSMHIQL-SFERNWRFSA-N

InCHI

InChI=1S/C117H191N9O84/c1-28-64(153)79(168)82(171)106(185-28)183-27-54-88(76(165)58(100(175)186-54)121-32(5)141)198-102-59(122-33(6)142)78(167)87(51(24-137)193-102)199-107-83(172)95(202-111-99(80(169)68(157)44(17-130)192-111)204-103-60(123-34(7)143)77(166)86(50(23-136)194-103)197-105-63(126-37(10)146)94(72(161)47(20-133)189-105)208-115(112(176)177)11-38(147)55(118-29(2)138)91(205-115)65(154)41(150)14-127)75(164)53(195-107)26-184-110-98(203-104-62(125-36(9)145)90(71(160)46(19-132)188-104)201-109-85(174)97(74(163)49(22-135)191-109)210-117(114(180)181)13-40(149)57(120-31(4)140)93(207-117)67(156)43(152)16-129)81(170)69(158)52(196-110)25-182-101-61(124-35(8)144)89(70(159)45(18-131)187-101)200-108-84(173)96(73(162)48(21-134)190-108)209-116(113(178)179)12-39(148)56(119-30(3)139)92(206-116)66(155)42(151)15-128/h28,38-111,127-137,147-175H,11-27H2,1-10H3,(H,118,138)(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,123,143)(H,124,144)(H,125,145)(H,126,146)(H,176,177)(H,178,179)(H,180,181)/t28-,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-,98-,99-,100+,101+,102-,103-,104-,105-,106+,107-,108-,109-,110-,111+,115-,116-,117-/m0/s1