Complex glycan structure

Cross-references

GlyTouCan : G75097MF

GlyGen : G75097MF

ChEBI : 153929

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Composition

Hex:5 HexNAc:4 dHex:1 NeuAc:3

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IUPAC

NeuAc(a2-3)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-6)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:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
13s:n-acetyl
14b:a-dman-HEX-1:5
15b:b-dglc-HEX-1:5
16s:n-acetyl
17b:b-dgal-HEX-1:5
18b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
19s:n-acetyl
20b: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(3+1)9d
9:9o(3+2)10d
10:10d(5+1)11n
11:7o(6+2)12d
12:12d(5+1)13n
13:5o(6+1)14d
14:14o(2+1)15d
15:15d(2+1)16n
16:15o(4+1)17d
17:17o(6+2)18d
18:18d(5+1)19n
19:1o(6+1)20d

GWS

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

InCHI key

DSDVUXKCEYLMCJ-DXRQDTAQSA-N

InCHI

InChI=1S/C101H165N7O74/c1-24-54(130)67(143)71(147)90(162-24)158-21-46-77(64(140)50(86(151)163-46)105-28(5)120)172-87-51(106-29(6)121)65(141)76(42(19-116)167-87)174-92-73(149)82(63(139)43(170-92)20-159-94-84(69(145)58(134)38(15-112)165-94)177-88-52(107-30(7)122)66(142)75(41(18-115)168-88)173-91-72(148)68(144)60(136)44(171-91)22-160-99(96(152)153)9-32(124)47(102-25(2)117)79(179-99)55(131)35(127)12-109)176-95-85(70(146)59(135)39(16-113)166-95)178-89-53(108-31(8)123)78(62(138)45(169-89)23-161-100(97(154)155)10-33(125)48(103-26(3)118)80(180-100)56(132)36(128)13-110)175-93-74(150)83(61(137)40(17-114)164-93)182-101(98(156)157)11-34(126)49(104-27(4)119)81(181-101)57(133)37(129)14-111/h24,32-95,109-116,124-151H,9-23H2,1-8H3,(H,102,117)(H,103,118)(H,104,119)(H,105,120)(H,106,121)(H,107,122)(H,108,123)(H,152,153)(H,154,155)(H,156,157)/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+,99+,100+,101-/m0/s1