Complex glycan structure

Cross-references

GlyTouCan : G16774YZ

GlyGen : G16774YZ

ChEBI : 147456

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Composition

Hex:7 HexNAc:6 dHex:1 NeuAc:4

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IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)[NeuAc(a2-6)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-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:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
22s:n-acetyl
23b:b-dglc-HEX-1:5
24s:n-acetyl
25b:b-dgal-HEX-1:5
26b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
27s:n-acetyl
28b: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(6+2)10d
10:10d(5+1)11n
11:6o(4+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+2)21d
21:21d(5+1)22n
22:17o(6+1)23d
23:23d(2+1)24n
24:23o(4+1)25d
25:25o(3+2)26d
26:26d(5+1)27n
27:1o(6+1)28d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--4b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--6a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--6b1D-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@@]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)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@@]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[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[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)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

MMEHFXQGDWJEDG-YHXDWAKOSA-N

InCHI

InChI=1S/C140H228N10O102/c1-33-75(182)92(199)95(202)125(222-33)219-31-64-108(86(193)69(119(209)223-64)145-38(6)168)237-122-72(148-41(9)171)89(196)104(57(25-160)229-122)239-127-98(205)113(243-132-118(245-124-74(150-43(11)173)90(197)103(56(24-159)231-124)238-126-96(203)93(200)80(187)63(234-126)32-221-137(133(210)211)12-44(174)65(141-34(2)164)109(246-137)76(183)48(178)16-151)97(204)107(60(28-163)232-132)236-121-71(147-40(8)170)88(195)105(58(26-161)228-121)241-129-100(207)115(83(190)53(21-156)225-129)251-139(135(214)215)14-46(176)67(143-36(4)166)111(248-139)78(185)50(180)18-153)85(192)62(233-127)30-220-131-117(244-123-73(149-42(10)172)91(198)106(59(27-162)230-123)242-130-101(208)116(84(191)54(22-157)226-130)252-140(136(216)217)15-47(177)68(144-37(5)167)112(249-140)79(186)51(181)19-154)94(201)81(188)61(235-131)29-218-120-70(146-39(7)169)87(194)102(55(23-158)227-120)240-128-99(206)114(82(189)52(20-155)224-128)250-138(134(212)213)13-45(175)66(142-35(3)165)110(247-138)77(184)49(179)17-152/h33,44-132,151-163,174-209H,12-32H2,1-11H3,(H,141,164)(H,142,165)(H,143,166)(H,144,167)(H,145,168)(H,146,169)(H,147,170)(H,148,171)(H,149,172)(H,150,173)(H,210,211)(H,212,213)(H,214,215)(H,216,217)/t33-,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+,137+,138-,139-,140-/m0/s1