Complex glycan structure

Cross-references

GlyTouCan : G23484GM

GlyGen : G23484GM

ChEBI : 148657

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Composition

Hex:6 HexNAc:7 dHex:1

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IUPAC

Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[Gal(b1-4)GlcNAc(b1-4)[GalNAc(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
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
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
9:9d(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
17:14o(6+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-GalNAc,p)--4b1D-GlcNAc,p--4b1D-Gal,p)--6a1Man(--2b1D-GlcNAc,p--4b1D-Gal,p)--6b1D-GlcNAc,p--4b1D-Gal,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

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

InCHI key

ZJVRTXOSTJQBKR-FWFNYULYSA-N

InCHI

InChI=1S/C98H163N7O70/c1-22-50(123)64(137)69(142)92(152-22)150-21-42-81(58(131)43(85(148)153-42)99-23(2)116)168-89-47(103-27(6)120)62(135)79(38(17-114)160-89)172-96-74(147)82(173-98-84(175-91-48(104-28(7)121)60(133)75(35(14-111)161-91)166-87-44(100-24(3)117)57(130)51(124)30(9-106)154-87)73(146)80(39(18-115)163-98)167-88-46(102-26(5)119)61(134)77(36(15-112)159-88)170-94-71(144)66(139)53(126)32(11-108)156-94)56(129)41(164-96)20-151-97-83(174-90-49(105-29(8)122)63(136)78(37(16-113)162-90)171-95-72(145)67(140)54(127)33(12-109)157-95)68(141)55(128)40(165-97)19-149-86-45(101-25(4)118)59(132)76(34(13-110)158-86)169-93-70(143)65(138)52(125)31(10-107)155-93/h22,30-98,106-115,123-148H,9-21H2,1-8H3,(H,99,116)(H,100,117)(H,101,118)(H,102,119)(H,103,120)(H,104,121)(H,105,122)/t22-,30+,31+,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+/m0/s1