Complex glycan structure

Cross-references

GlyTouCan : G21050RT

GlyGen : G21050RT

ChEBI : 148315

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Composition

Hex:9 HexNAc:6 dHex:5

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IUPAC

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

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--2a1L-Fuc,p)--4b1D-GlcNAc,p--4b1D-Gal,p(--2a1L-Fuc,p)--3a1D-Gal,p)--6a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p(--2a1L-Fuc,p)--3a1D-Gal,p)--6b1D-GlcNAc,p--4b1D-Gal,p--2a1L-Fuc,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

LFucpa1-2DGalpb1-4DGlcpNAcb1-2[DGalpa1-3[LFucpa1-2]DGalpb1-4DGlcpNAcb1-4]DManpa1-3[DGalpa1-3[LFucpa1-2]DGalpb1-4DGlcpNAcb1-2[LFucpa1-2DGalpb1-4DGlcpNAcb1-6]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)O[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)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@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)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[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)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)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

ZPVOFBZKNBFKNZ-QMZPCAAZSA-N

InCHI

InChI=1S/C132H220N6O96/c1-27-59(157)78(176)88(186)119(199-27)197-26-52-103(72(170)53(113(195)204-52)133-32(6)151)220-116-55(135-34(8)153)74(172)97(45(19-146)212-116)221-126-96(194)104(226-130-110(230-118-58(138-37(11)156)76(174)99(46(20-147)215-118)223-129-109(86(184)67(165)41(15-142)208-129)232-121-90(188)80(178)61(159)29(3)201-121)95(193)102(49(23-150)216-130)219-115-56(136-35(9)154)75(173)100(47(21-148)213-115)224-131-111(233-122-91(189)81(179)62(160)30(4)202-122)105(69(167)42(16-143)209-131)227-124-93(191)83(181)64(162)38(12-139)205-124)71(169)51(217-126)25-198-127-107(87(185)68(166)50(218-127)24-196-114-54(134-33(7)152)73(171)98(44(18-145)211-114)222-128-108(85(183)66(164)40(14-141)207-128)231-120-89(187)79(177)60(158)28(2)200-120)229-117-57(137-36(10)155)77(175)101(48(22-149)214-117)225-132-112(234-123-92(190)82(180)63(161)31(5)203-123)106(70(168)43(17-144)210-132)228-125-94(192)84(182)65(163)39(13-140)206-125/h27-31,38-132,139-150,157-195H,12-26H2,1-11H3,(H,133,151)(H,134,152)(H,135,153)(H,136,154)(H,137,155)(H,138,156)/t27-,28-,29-,30-,31-,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-,127-,128-,129-,130+,131-,132-/m0/s1