Complex glycan structure

Cross-references

GlyTouCan : G38022PE

GlyGen : G38022PE

ChEBI : 150205

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Composition

Hex:6 HexNAc:5 dHex:1 NeuAc:2

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IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]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-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
20:1o(6+1)21d

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)--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)O)O)O)O)NC(=O)C)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[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

JCRNTSDBMWUXKV-LHSHDHABSA-N

InCHI

InChI=1S/C104H171N7O76/c1-24-54(133)67(146)71(150)94(164-24)161-22-46-82(62(141)49(89(156)165-46)107-27(4)124)177-91-51(109-29(6)126)64(143)79(41(18-119)170-91)180-97-75(154)85(61(140)44(174-97)21-162-99-87(70(149)58(137)37(14-115)168-99)183-92-52(110-30(7)127)65(144)77(39(16-117)171-92)178-95-72(151)68(147)57(136)36(13-114)166-95)182-100-88(184-93-53(111-31(8)128)66(145)78(40(17-118)172-93)179-96-73(152)69(148)59(138)45(175-96)23-163-103(101(157)158)9-32(129)47(105-25(2)122)83(185-103)55(134)34(131)11-112)74(153)81(43(20-121)173-100)176-90-50(108-28(5)125)63(142)80(42(19-120)169-90)181-98-76(155)86(60(139)38(15-116)167-98)187-104(102(159)160)10-33(130)48(106-26(3)123)84(186-104)56(135)35(132)12-113/h24,32-100,112-121,129-156H,9-23H2,1-8H3,(H,105,122)(H,106,123)(H,107,124)(H,108,125)(H,109,126)(H,110,127)(H,111,128)(H,157,158)(H,159,160)/t24-,32-,33-,34+,35+,36+,37+,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+,103+,104-/m0/s1