Complex glycan structure

Cross-references

GlyTouCan : G62326NX

GlyGen : G62326NX

ChEBI : 152475

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Composition

Hex:7 HexNAc:6 dHex:1

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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:a-dman-HEX-1:5
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b:b-dgal-HEX-1:5
17b:b-dglc-HEX-1:5
18s:n-acetyl
19b:b-dgal-HEX-1:5
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(4+1)9d
9:9o(2+1)10d
10:10d(2+1)11n
11:10o(4+1)12d
12:5o(6+1)13d
13:13o(2+1)14d
14:14d(2+1)15n
15:14o(4+1)16d
16:16o(2+1)17d
17:17d(2+1)18n
18:17o(4+1)19d
19:1o(6+1)20d

GWS

freeEnd--?b1D-GlcNAc,p(--6a1L-Fuc,p)--4b1D-GlcNAc,p--4b1D-Man,p(--3a1D-Man,p--2b1D-GlcNAc,p--4b1D-Gal,p--2b1D-GlcNAc,p--4b1D-Gal,p)--6a1D-Man,p--2b1D-GlcNAc,p--4b1D-Gal,p--2b1D-GlcNAc,p--4b1D-Gal,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[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)NC(=O)C)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)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)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)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

ZEEKZNSAJIQEMH-BRQAVPIESA-N

InCHI

InChI=1S/C96H160N6O70/c1-21-47(120)61(134)68(141)89(148-21)146-20-40-77(55(128)41(83(145)149-40)97-22(2)114)162-84-42(98-23(3)115)56(129)74(36(16-111)156-84)165-92-71(144)78(168-96-82(67(140)53(126)33(13-108)155-96)172-88-46(102-27(7)119)60(133)76(38(18-113)160-88)167-95-81(66(139)52(125)32(12-107)154-95)171-87-44(100-25(5)117)58(131)73(35(15-110)158-87)164-91-70(143)63(136)49(122)29(9-104)151-91)54(127)39(161-92)19-147-93-79(64(137)50(123)30(10-105)152-93)169-85-45(101-26(6)118)59(132)75(37(17-112)159-85)166-94-80(65(138)51(124)31(11-106)153-94)170-86-43(99-24(4)116)57(130)72(34(14-109)157-86)163-90-69(142)62(135)48(121)28(8-103)150-90/h21,28-96,103-113,120-145H,8-20H2,1-7H3,(H,97,114)(H,98,115)(H,99,116)(H,100,117)(H,101,118)(H,102,119)/t21-,28+,29+,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+/m0/s1