Complex glycan structure

Cross-references

GlyTouCan : G39298RF

GlyGen : G39298RF

ChEBI : 150502

---

Composition

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

---

IUPAC

Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-4)[GlcNAc(b1-2)]Man(a1-3)[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-dglc-HEX-1:5
10s:n-acetyl
11b:b-dgal-HEX-1:5
12b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
13s:n-acetyl
14b:a-dman-HEX-1:5
15b:b-dglc-HEX-1:5
16s:n-acetyl
17b: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
8:6o(4+1)9d
9:9d(2+1)10n
10:9o(3+1)11d
11:9o(6+2)12d
12:12d(5+1)13n
13:5o(6+1)14d
14:14o(2+1)15d
15:15d(2+1)16n
16:1o(6+1)17d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man(--2b1D-GlcNAc,p)--4b1D-GlcNAc,p(--3b1D-Gal,p)--6a2D-NeuAc,p)--6a1Man--2b1D-GlcNAc,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)O)NC(=O)C)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@@]9(C[C@@H]([C@H]([C@@H](O9)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

UDSUDDNYSFVSJR-XIUWFDEYSA-N

InCHI

InChI=1S/C81H134N6O58/c1-19-43(103)55(115)58(118)75(128-19)125-17-36-64(53(113)38(70(122)129-36)83-21(3)96)139-73-41(86-24(6)99)54(114)62(32(14-93)134-73)140-77-61(121)67(50(110)34(137-77)16-126-78-68(57(117)48(108)31(13-92)133-78)143-71-39(84-22(4)97)51(111)45(105)28(10-89)130-71)142-79-69(144-72-40(85-23(5)98)52(112)46(106)29(11-90)131-72)60(120)63(33(15-94)135-79)138-74-42(87-25(7)100)65(141-76-59(119)56(116)47(107)30(12-91)132-76)49(109)35(136-74)18-127-81(80(123)124)8-26(101)37(82-20(2)95)66(145-81)44(104)27(102)9-88/h19,26-79,88-94,101-122H,8-18H2,1-7H3,(H,82,95)(H,83,96)(H,84,97)(H,85,98)(H,86,99)(H,87,100)(H,123,124)/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