Complex glycan structure

Cross-references

GlyTouCan : G90130AG

GlyGen : G90130AG

ChEBI : 154751

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Composition

Hex:9 HexNAc:8 dHex:1

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IUPAC

Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]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:b-dglc-HEX-1:5
14s:n-acetyl
15b:b-dgal-HEX-1:5
16b:a-dman-HEX-1:5
17b:b-dglc-HEX-1:5
18s:n-acetyl
19b:b-dgal-HEX-1:5
20b:b-dglc-HEX-1:5
21s:n-acetyl
22b:b-dgal-HEX-1:5
23b:b-dglc-HEX-1:5
24s:n-acetyl
25b:b-dgal-HEX-1:5
26b: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
9:9o(3+1)10d
10:10d(2+1)11n
11:10o(4+1)12d
12:12o(3+1)13d
13:13d(2+1)14n
14:13o(4+1)15d
15:5o(6+1)16d
16:16o(2+1)17d
17:17d(2+1)18n
18:17o(4+1)19d
19:19o(3+1)20d
20:20d(2+1)21n
21:20o(4+1)22d
22:22o(3+1)23d
23:23d(2+1)24n
24:23o(4+1)25d
25:1o(6+1)26d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH

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)O)O)O[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@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)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)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@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@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)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

RYLLPOKDAMMXBN-AMWLSLTESA-N

InCHI

InChI=1S/C124H206N8O90/c1-27-61(156)79(174)84(179)115(190-27)188-26-52-99(71(166)53(107(187)191-52)125-28(2)148)208-108-54(126-29(3)149)72(167)98(46(20-143)200-108)215-122-91(186)104(220-124-106(83(178)65(160)39(13-136)199-124)222-114-60(132-35(9)155)78(173)97(50(24-147)206-114)214-121-90(185)103(69(164)43(17-140)197-121)219-112-58(130-33(7)153)76(171)95(48(22-145)204-112)212-119-88(183)101(67(162)41(15-138)195-119)217-110-56(128-31(5)151)74(169)93(45(19-142)202-110)210-117-86(181)81(176)63(158)37(11-134)193-117)70(165)51(207-122)25-189-123-105(82(177)64(159)38(12-135)198-123)221-113-59(131-34(8)154)77(172)96(49(23-146)205-113)213-120-89(184)102(68(163)42(16-139)196-120)218-111-57(129-32(6)152)75(170)94(47(21-144)203-111)211-118-87(182)100(66(161)40(14-137)194-118)216-109-55(127-30(4)150)73(168)92(44(18-141)201-109)209-116-85(180)80(175)62(157)36(10-133)192-116/h27,36-124,133-147,156-187H,10-26H2,1-9H3,(H,125,148)(H,126,149)(H,127,150)(H,128,151)(H,129,152)(H,130,153)(H,131,154)(H,132,155)/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-,115+,116-,117-,118-,119-,120-,121-,122-,123-,124+/m0/s1