Complex glycan structure

Cross-references

GlyTouCan : G51562OR

GlyGen : G51562OR

ChEBI : 151554

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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(b1-2)[Gal(b1-4)GlcNAc(b1-3)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: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
9:6o(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+1)17d
17:17d(2+1)18n
18:17o(4+1)19d
19:13o(6+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)--4b1D-GlcNAc,p--4b1D-Gal,p)--6a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p)--6b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

DGalpb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-4]DManpa1-3[DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-6]DManpa1-6]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[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)O)O)NC(=O)C)O)O)NC(=O)C)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)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[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

BAOAWGVTHBEBOW-NIXLTFPDSA-N

InCHI

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