Complex glycan structure

Cross-references

GlyTouCan : G10258MC

GlyGen : G10258MC

ChEBI : 147119

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Composition

Hex:4 HexNAc:5 NeuAc:2

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IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-6)GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)]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
10s:n-acetyl
11b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
12s:n-acetyl
13b:a-dman-HEX-1:5
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b:b-dgal-HEX-1:5
17b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
18s: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
9:9d(2+1)10n
10:9o(6+2)11d
11:11d(5+1)12n
12:5o(6+1)13d
13:13o(2+1)14d
14:14d(2+1)15n
15:14o(4+1)16d
16:16o(3+2)17d
17:17d(5+1)18n

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-GalNAc,p--6a2D-NeuAc,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)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)NC(=O)C)O)CO)CO)CO[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)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)CO)O)O)CO)NC(=O)C)O)O)O

InCHI key

IZEIPNDGOAPKJT-UHXKUAGDSA-N

InCHI

InChI=1S/C86H141N7O62/c1-21(103)87-41-28(110)8-85(83(131)132,153-68(41)48(114)30(112)10-94)136-20-40-52(118)55(121)44(90-24(4)106)75(144-40)147-65-36(16-100)142-78(46(57(65)123)92-26(6)108)152-73-61(127)51(117)33(13-97)140-82(73)150-70-54(120)39(145-79(62(70)128)148-66-37(17-101)141-76(45(58(66)124)91-25(5)107)146-64-35(15-99)137-74(130)43(56(64)122)89-23(3)105)19-135-81-72(60(126)50(116)32(12-96)139-81)151-77-47(93-27(7)109)59(125)67(38(18-102)143-77)149-80-63(129)71(53(119)34(14-98)138-80)155-86(84(133)134)9-29(111)42(88-22(2)104)69(154-86)49(115)31(113)11-95/h28-82,94-102,110-130H,8-20H2,1-7H3,(H,87,103)(H,88,104)(H,89,105)(H,90,106)(H,91,107)(H,92,108)(H,93,109)(H,131,132)(H,133,134)/t28-,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+,85+,86-/m0/s1