Complex glycan structure

Cross-references

GlyTouCan : G40194MN

GlyGen : G40194MN

ChEBI : 150075

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Composition

Hex:7 HexNAc:6 dHex:1 NeuAc:2

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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)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]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
10b:b-dglc-HEX-1:5
11s:n-acetyl
12b:b-dgal-HEX-1:5
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
9:6o(4+1)10d
10:10d(2+1)11n
11:10o(4+1)12d
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-Gal,p)--4b1D-GlcNAc,p--4b1D-Gal,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[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)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)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

JQMKQGFYQXPWPR-HGQOWBQTSA-N

InCHI

InChI=1S/C118H194N8O86/c1-27-61(151)76(166)80(170)107(185-27)183-26-52-93(70(160)55(101(177)186-52)121-30(4)141)200-104-58(124-33(7)144)73(163)90(47(21-136)193-104)203-110-84(174)96(206-114-100(208-106-60(126-35(9)146)74(164)89(46(20-135)195-106)202-109-82(172)78(168)65(155)41(15-130)188-109)83(173)92(49(23-138)196-114)199-103-57(123-32(6)143)72(162)88(45(19-134)192-103)201-108-81(171)77(167)64(154)40(14-129)187-108)69(159)51(197-110)25-184-113-99(207-105-59(125-34(8)145)75(165)91(48(22-137)194-105)205-112-86(176)98(68(158)43(17-132)190-112)212-118(116(180)181)11-37(148)54(120-29(3)140)95(210-118)63(153)39(150)13-128)79(169)66(156)50(198-113)24-182-102-56(122-31(5)142)71(161)87(44(18-133)191-102)204-111-85(175)97(67(157)42(16-131)189-111)211-117(115(178)179)10-36(147)53(119-28(2)139)94(209-117)62(152)38(149)12-127/h27,36-114,127-138,147-177H,10-26H2,1-9H3,(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,178,179)(H,180,181)/t27-,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+,96-,97-,98-,99-,100-,101+,102+,103-,104-,105-,106-,107+,108-,109-,110-,111-,112-,113-,114+,117-,118-/m0/s1