Complex glycan structure

Cross-references

GlyTouCan : G56749GV

GlyGen : G56749GV

ChEBI : 87763

UniCarb-DB :

• 389
• 2260
• 2561
• 2582

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Composition

Hex:5 HexNAc:4 dHex:1 NeuAc:2

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IUPAC

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

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1D-Man,p(--3a1D-Man,p--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--6a1D-Man,p--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)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

ZKTKZINYZDEVDD-LXSFFVJVSA-N

InCHI

InChI=1S/C90H148N6O66/c1-21-47(114)59(126)64(131)81(144-21)140-18-40-71(55(122)43(77(135)145-40)93-24(4)106)154-78-44(94-25(5)107)56(123)70(36(16-103)148-78)157-84-67(134)74(158-86-76(63(130)51(118)33(13-100)147-86)160-80-46(96-27(7)109)58(125)69(35(15-102)150-80)156-83-66(133)61(128)53(120)39(153-83)20-143-90(88(138)139)9-29(111)42(92-23(3)105)73(162-90)49(116)31(113)11-98)54(121)37(151-84)17-141-85-75(62(129)50(117)32(12-99)146-85)159-79-45(95-26(6)108)57(124)68(34(14-101)149-79)155-82-65(132)60(127)52(119)38(152-82)19-142-89(87(136)137)8-28(110)41(91-22(2)104)72(161-89)48(115)30(112)10-97/h21,28-86,97-103,110-135H,8-20H2,1-7H3,(H,91,104)(H,92,105)(H,93,106)(H,94,107)(H,95,108)(H,96,109)(H,136,137)(H,138,139)/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+,89+,90+/m0/s1