Complex glycan structure

Cross-references

GlyTouCan : G63065KG

GlyGen : G63065KG

ChEBI : 152601

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Composition

Hex:5 HexNAc:8 dHex:1

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IUPAC

Gal(b1-4)GlcNAc(b1-4)[GalNAc(b1-4)GlcNAc(b1-2)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-6)[GalNAc(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
10s:n-acetyl
11b:b-dglc-HEX-1:5
12s:n-acetyl
13b:b-dgal-HEX-1:5
14b:a-dman-HEX-1:5
15b:b-dglc-HEX-1:5
16s:n-acetyl
17b:b-dgal-HEX-1:5
18s:n-acetyl
19b:b-dglc-HEX-1:5
20s:n-acetyl
21b:b-dgal-HEX-1:5
22b: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
9:9d(2+1)10n
10:6o(4+1)11d
11:11d(2+1)12n
12:11o(4+1)13d
13:5o(6+1)14d
14:14o(2+1)15d
15:15d(2+1)16n
16:15o(4+1)17d
17:17d(2+1)18n
18:14o(6+1)19d
19:19d(2+1)20n
20:19o(4+1)21d
21:1o(6+1)22d

GWS

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

Glycam

DGalpNAcb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-4]DManpa1-3[DGalpNAcb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-6]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)O)O)NC(=O)C)O)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)NC(=O)C)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)NC(=O)C)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

AKWPSQWQDBXCDL-ZBRVIVBXSA-N

InCHI

InChI=1S/C100H166N8O70/c1-23-53(127)68(142)72(146)95(155-23)153-22-44-83(62(136)45(87(151)156-44)101-24(2)119)172-92-50(106-29(7)124)67(141)81(40(18-117)163-92)175-98-76(150)84(176-100-86(178-94-52(108-31(9)126)65(139)78(38(16-115)165-94)170-90-47(103-26(4)121)61(135)55(129)33(11-110)158-90)75(149)82(41(19-118)166-100)171-91-49(105-28(6)123)66(140)80(39(17-116)162-91)174-97-74(148)70(144)57(131)35(13-112)160-97)59(133)43(167-98)21-154-99-85(177-93-51(107-30(8)125)64(138)77(37(15-114)164-93)169-89-46(102-25(3)120)60(134)54(128)32(10-109)157-89)71(145)58(132)42(168-99)20-152-88-48(104-27(5)122)63(137)79(36(14-113)161-88)173-96-73(147)69(143)56(130)34(12-111)159-96/h23,32-100,109-118,127-151H,10-22H2,1-9H3,(H,101,119)(H,102,120)(H,103,121)(H,104,122)(H,105,123)(H,106,124)(H,107,125)(H,108,126)/t23-,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+/m0/s1