Complex glycan structure

Cross-references

GlyTouCan : G09576QH

GlyGen : G09576QH

ChEBI : 147008

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Composition

Hex:10 HexNAc:9 dHex:1

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IUPAC

Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[Gal(b1-4)GlcNAc(b1-3)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:b-dglc-HEX-1:5
14s:n-acetyl
15b:b-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:b-dglc-HEX-1:5
21s:n-acetyl
22b:b-dgal-HEX-1:5
23b:b-dglc-HEX-1:5
24s:n-acetyl
25b:b-dgal-HEX-1:5
26b:b-dglc-HEX-1:5
27s:n-acetyl
28b:b-dgal-HEX-1:5
29b: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+1)10d
10:10d(2+1)11n
11:10o(4+1)12d
12:6o(4+1)13d
13:13d(2+1)14n
14:13o(4+1)15d
15:5o(6+1)16d
16:16o(2+1)17d
17:17d(2+1)18n
18:17o(4+1)19d
19:19o(3+1)20d
20:20d(2+1)21n
21:20o(4+1)22d
22:16o(6+1)23d
23:23d(2+1)24n
24:23o(4+1)25d
25:25o(3+1)26d
26:26d(2+1)27n
27:26o(4+1)28d
28:1o(6+1)29d

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-4]DManpa1-3[DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-6]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[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)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@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[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[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)NC(=O)C)O)O)O

InCHI key

SYVOFSPJNOAUOT-LXCUYKECSA-N

InCHI

InChI=1S/C138H229N9O100/c1-30-68(173)87(192)93(198)128(212-30)210-29-58-112(78(183)59(119(208)213-58)139-31(2)164)233-122-62(142-34(5)167)81(186)110(52(23-160)223-122)241-136-102(207)116(245-138-118(98(203)111(55(26-163)229-138)232-121-61(141-33(4)166)80(185)104(48(19-156)222-121)234-129-94(199)88(193)69(174)40(11-148)214-129)247-127-67(147-39(10)172)86(191)109(54(25-162)228-127)240-135-101(206)115(76(181)46(17-154)220-135)244-125-65(145-37(8)170)84(189)107(51(22-159)226-125)237-132-97(202)91(196)72(177)43(14-151)217-132)77(182)57(230-136)28-211-137-117(246-126-66(146-38(9)171)85(190)108(53(24-161)227-126)239-134-100(205)114(75(180)45(16-153)219-134)243-124-64(144-36(7)169)83(188)106(50(21-158)225-124)236-131-96(201)90(195)71(176)42(13-150)216-131)92(197)73(178)56(231-137)27-209-120-60(140-32(3)165)79(184)103(47(18-155)221-120)238-133-99(204)113(74(179)44(15-152)218-133)242-123-63(143-35(6)168)82(187)105(49(20-157)224-123)235-130-95(200)89(194)70(175)41(12-149)215-130/h30,40-138,148-163,173-208H,11-29H2,1-10H3,(H,139,164)(H,140,165)(H,141,166)(H,142,167)(H,143,168)(H,144,169)(H,145,170)(H,146,171)(H,147,172)/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+,129-,130-,131-,132-,133-,134-,135-,136-,137-,138+/m0/s1