Complex glycan structure

Cross-references

GlyTouCan : G16873YG

GlyGen : G16873YG

ChEBI : 147479

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Composition

Hex:8 HexNAc:7 dHex:1 NeuAc:2

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IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)]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: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:b-dgal-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
9:6o(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+2)17d
17:17d(5+1)18n
18:13o(6+1)19d
19:19d(2+1)20n
20:19o(4+1)21d
21:21o(3+1)22d
22:22d(2+1)23n
23:22o(4+1)24d
24:24o(3+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)--4b1D-GlcNAc,p--4b1D-Gal,p)--6a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p--3a2D-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[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@@]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[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[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

BJEDGUZZICFKDO-ZZHWXKEYSA-N

InCHI

InChI=1S/C132H217N9O96/c1-30-68(169)85(186)89(190)120(206-30)204-29-58-104(78(179)61(113(198)207-58)135-33(4)158)223-116-64(138-36(7)161)81(182)100(52(23-152)215-116)227-124-94(195)108(231-128-112(233-119-67(141-39(10)164)83(184)99(51(22-151)218-119)225-122-91(192)87(188)72(173)45(16-145)209-122)92(193)103(55(26-155)219-128)222-115-63(137-35(6)160)80(181)98(50(21-150)214-115)224-121-90(191)86(187)71(172)44(15-144)208-121)77(178)57(220-124)28-205-127-111(232-118-66(140-38(9)163)84(185)102(54(25-154)217-118)229-126-96(197)110(76(177)48(19-148)212-126)237-132(130(201)202)12-41(166)60(134-32(3)157)106(235-132)70(171)43(168)14-143)88(189)73(174)56(221-127)27-203-114-62(136-34(5)159)79(180)97(49(20-149)213-114)226-123-93(194)107(74(175)46(17-146)210-123)230-117-65(139-37(8)162)82(183)101(53(24-153)216-117)228-125-95(196)109(75(176)47(18-147)211-125)236-131(129(199)200)11-40(165)59(133-31(2)156)105(234-131)69(170)42(167)13-142/h30,40-128,142-155,165-198H,11-29H2,1-10H3,(H,133,156)(H,134,157)(H,135,158)(H,136,159)(H,137,160)(H,138,161)(H,139,162)(H,140,163)(H,141,164)(H,199,200)(H,201,202)/t30-,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+,131-,132-/m0/s1