Complex glycan structure

Cross-references

GlyTouCan : G14998UC

GlyGen : G14998UC

ChEBI : 147835

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Composition

Hex:5 HexNAc:5 NeuAc:2

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IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)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:b-dglc-HEX-1:5
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
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(4+1)12d
12:12d(2+1)13n
13:5o(6+1)14d
14:14o(2+1)15d
15:15d(2+1)16n
16:15o(4+1)17d
17:17o(3+2)18d
18:18d(5+1)19n

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man((--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--4b1D-GlcNAc,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p$MONO,Und,0,0,freeEnd

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4O[C@@H]5[C@@H]([C@@H](O[C@@H]([C@H]5O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)CO[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[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)NC(=O)C)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)NC(=O)C)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)NC(=O)C)O)CO)CO)O)CO)O)O)CO)O)O)O)O

InCHI key

WKYJXPFJBOQCCU-PAVJLPTOSA-N

InCHI

InChI=1S/C92H151N7O67/c1-22(110)93-43-29(117)8-91(89(140)141,164-73(43)50(121)31(119)10-100)145-21-41-55(126)62(133)65(136)84(154-41)157-69-38(17-107)153-83(49(60(69)131)99-28(7)116)163-78-64(135)54(125)35(14-104)150-88(78)161-76-67(138)86(159-71-39(18-108)151-81(47(59(71)130)97-26(5)114)156-68-37(16-106)146-79(139)45(58(68)129)95-24(3)112)155-42(72(76)160-80-46(96-25(4)113)57(128)52(123)33(12-102)147-80)20-144-87-77(63(134)53(124)34(13-103)149-87)162-82-48(98-27(6)115)61(132)70(40(19-109)152-82)158-85-66(137)75(56(127)36(15-105)148-85)166-92(90(142)143)9-30(118)44(94-23(2)111)74(165-92)51(122)32(120)11-101/h29-88,100-109,117-139H,8-21H2,1-7H3,(H,93,110)(H,94,111)(H,95,112)(H,96,113)(H,97,114)(H,98,115)(H,99,116)(H,140,141)(H,142,143)/t29-,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+,91+,92-/m0/s1