Complex glycan structure

Cross-references

GlyTouCan : G32659RY

GlyGen : G32659RY

ChEBI : 149280

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Composition

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

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IUPAC

HSO3(-4)GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)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
10s:n-acetyl
11s:sulfate
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
9:9d(2+1)10n
10:9o(4+1)11n
11:5o(6+1)12d
12:12o(2+1)13d
13:13d(2+1)14n
14:13o(4+1)15d
15:15o(3+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-GalNAc,p--4?1S)--6a1D-Man,p--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-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)O)O[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)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)OS(=O)(=O)O)O)NC(=O)C)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

ZVFLWPQOJGDREB-FANADEPSSA-N

InCHI

InChI=1S/C81H134N6O61S/c1-19-43(104)54(115)57(118)75(129-19)127-18-36-63(49(110)38(70(121)130-36)83-21(3)97)140-71-39(84-22(4)98)51(112)61(32(14-93)134-71)141-76-58(119)66(143-79-69(56(117)46(107)29(11-90)133-79)145-74-40(85-23(5)99)50(111)60(31(13-92)135-74)139-72-42(87-25(7)101)53(114)64(34(16-95)137-72)148-149(124,125)126)48(109)35(138-76)17-128-78-68(55(116)45(106)28(10-89)132-78)144-73-41(86-24(6)100)52(113)62(33(15-94)136-73)142-77-59(120)67(47(108)30(12-91)131-77)147-81(80(122)123)8-26(102)37(82-20(2)96)65(146-81)44(105)27(103)9-88/h19,26-79,88-95,102-121H,8-18H2,1-7H3,(H,82,96)(H,83,97)(H,84,98)(H,85,99)(H,86,100)(H,87,101)(H,122,123)(H,124,125,126)/t19-,26-,27+,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+,81-/m0/s1