Complex glycan structure

Cross-references

GlyTouCan : G00666EC

GlyGen : G00666EC

ChEBI : 146097

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Composition

Hex:6 HexNAc:6 dHex:3 NeuAc:3

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IUPAC

Fuc(a1-2)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-2)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-6)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]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:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
12s:n-acetyl
13b:b-dglc-HEX-1:5
14s:n-acetyl
15b:b-dgal-HEX-1:5
16b:a-lgal-HEX-1:5|6:d
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:a-dman-HEX-1:5
22b:b-dglc-HEX-1:5
23s:n-acetyl
24b:b-dgal-HEX-1:5
25b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
26s:n-acetyl
27b: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
10:9o(6+2)11d
11:11d(5+1)12n
12:6o(6+1)13d
13:13d(2+1)14n
14:13o(4+1)15d
15:15o(2+1)16d
16:15o(6+2)17d
17:17d(5+1)18n
18:5o(4+1)19d
19:19d(2+1)20n
20:5o(6+1)21d
21:21o(2+1)22d
22:22d(2+1)23n
23:22o(4+1)24d
24:24o(6+2)25d
25:25d(5+1)26n
26:1o(6+1)27d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man((--3a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p(--2a1L-Fuc,p)--6a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p(--2a1L-Fuc,p)--6a2D-NeuAc,p)--4b1D-GlcNAc,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-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)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[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)O)O)NC(=O)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)NC(=O)C)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[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)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)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[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)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

LRDNMLMXAVWBCE-AZBIDXEMSA-N

InCHI

InChI=1S/C135H221N9O97/c1-31-70(169)88(187)96(195)121(213-31)208-26-59-105(83(182)64(115(200)216-59)139-37(7)157)228-118-67(142-40(10)160)85(184)102(53(23-152)220-118)230-125-100(199)110(106(233-117-65(140-38(8)158)82(181)76(175)49(19-148)217-117)60(227-125)27-209-126-111(92(191)77(176)50(20-149)218-126)235-119-68(143-41(11)161)86(185)101(52(22-151)221-119)229-124-99(198)91(190)78(177)56(223-124)28-210-133(130(201)202)13-43(163)61(136-34(4)154)107(239-133)73(172)46(166)16-145)234-129-112(236-120-69(144-42(12)162)87(186)104(54(24-153)222-120)232-128-114(238-123-98(197)90(189)72(171)33(3)215-123)95(194)81(180)58(226-128)30-212-135(132(205)206)15-45(165)63(138-36(6)156)109(241-135)75(174)48(168)18-147)93(192)79(178)55(224-129)25-207-116-66(141-39(9)159)84(183)103(51(21-150)219-116)231-127-113(237-122-97(196)89(188)71(170)32(2)214-122)94(193)80(179)57(225-127)29-211-134(131(203)204)14-44(164)62(137-35(5)155)108(240-134)74(173)47(167)17-146/h31-33,43-129,145-153,163-200H,13-30H2,1-12H3,(H,136,154)(H,137,155)(H,138,156)(H,139,157)(H,140,158)(H,141,159)(H,142,160)(H,143,161)(H,144,162)(H,201,202)(H,203,204)(H,205,206)/t31-,32-,33-,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+,133+,134+,135+/m0/s1