Complex glycan structure

Cross-references

GlyTouCan : G95658PH

GlyGen : G95658PH

ChEBI : 155440

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Composition

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

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IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[NeuAc(a2-6)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(6+2)11d
11:11d(5+1)12n
12:5o(6+1)13d
13:13o(2+1)14d
14:14d(2+1)15n
15:14o(4+1)16d
16:16o(3+2)17d
17:17d(5+1)18n
18:13o(6+1)19d
19:19d(2+1)20n
20:19o(4+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--6a2D-NeuAc,p)--6a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-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[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)O)NC(=O)C)O)O)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[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)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[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)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

FUJLXTYWNPYLMY-OVFPFQILSA-N

InCHI

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