Complex glycan structure

Cross-references

GlyTouCan : G70868QU

GlyGen : G70868QU

ChEBI : 153561

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Composition

Hex:9 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(a1-3)[Gal(b1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc

GlycoCT

RES
1b:x-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:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
11s:n-acetyl
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:b-dgal-HEX-1:5
15b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
16s:n-acetyl
17b:a-dman-HEX-1:5
18b:b-dglc-HEX-1:5
19s:n-acetyl
20b:b-dgal-HEX-1:5
21b:b-dgal-HEX-1:5
22b:b-dglc-HEX-1:5
23s:n-acetyl
24b:b-dgal-HEX-1:5
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+2)10d
10:10d(5+1)11n
11:6o(6+1)12d
12:12d(2+1)13n
13:12o(4+1)14d
14:14o(3+2)15d
15:15d(5+1)16n
16:5o(6+1)17d
17:17o(2+1)18d
18:18d(2+1)19n
19:18o(4+1)20d
20:20o(3+1)21d
21:17o(4+1)22d
22:22d(2+1)23n
23:22o(4+1)24d
24:24o(3+1)25d
25:1o(6+1)26d

GWS

freeEnd--??1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1D-Man,p(--3a1D-Man,p(--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--6a1D-Man,p(--2b1D-GlcNAc,p--4b1D-Gal,p--3b1D-Gal,p)--4b1D-GlcNAc,p--4b1D-Gal,p--3b1D-Gal,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(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[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)O)O)O)O)NC(=O)C)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@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)NC(=O)C)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[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)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@@]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)NC(=O)C)O)O)O

InCHI key

AVGGGPBMTGIXNK-CMVJHRSASA-N

InCHI

InChI=1S/C130H214N8O96/c1-29-65(165)82(182)86(186)117(203-29)201-28-56-101(76(176)59(111(195)204-56)133-32(4)155)220-114-62(136-35(7)158)79(179)98(50(22-149)213-114)223-122-92(192)106(75(175)55(217-122)27-202-125-110(230-116-64(138-37(9)160)81(181)97(51(23-150)215-116)222-121-91(191)105(72(172)45(17-144)208-121)227-119-88(188)84(184)69(169)43(15-142)206-119)89(189)100(53(25-152)216-125)219-113-61(135-34(6)157)78(178)96(49(21-148)212-113)221-120-90(190)104(71(171)44(16-143)207-120)226-118-87(187)83(183)68(168)42(14-141)205-118)228-126-109(229-115-63(137-36(8)159)80(180)99(52(24-151)214-115)225-124-94(194)108(74(174)47(19-146)210-124)234-130(128(198)199)11-39(162)58(132-31(3)154)103(232-130)67(167)41(164)13-140)85(185)70(170)54(218-126)26-200-112-60(134-33(5)156)77(177)95(48(20-147)211-112)224-123-93(193)107(73(173)46(18-145)209-123)233-129(127(196)197)10-38(161)57(131-30(2)153)102(231-129)66(166)40(163)12-139/h29,38-126,139-152,161-195H,10-28H2,1-9H3,(H,131,153)(H,132,154)(H,133,155)(H,134,156)(H,135,157)(H,136,158)(H,137,159)(H,138,160)(H,196,197)(H,198,199)/t29-,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-,125-,126+,129-,130-/m0/s1