Complex glycan structure

Cross-references

GlyTouCan : G36223VW

GlyGen : G36223VW

ChEBI : 150513

---

Composition

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

---

IUPAC

NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-6)[GlcNAc(b1-2)]Man(a1-6)[NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-2)Man(a1-3)]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-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
20b: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(3+1)9d
9:9o(3+2)10d
10:10d(5+1)11n
11:5o(6+1)12d
12:12o(2+1)13d
13:13d(2+1)14n
14:12o(6+1)15d
15:15d(2+1)16n
16:15o(3+1)17d
17:17o(3+2)18d
18:18d(5+1)19n
19:1o(6+1)20d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--3b1D-Gal,p--3a2D-NeuAc,p)--6a1Man(--2b1D-GlcNAc,p)--6b1D-GlcNAc,p--3b1D-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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)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)NC(=O)C)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)NC(=O)C)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)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)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

HFLLFDDIZHTNIW-NJMUFUGCSA-N

InCHI

InChI=1S/C98H161N7O71/c1-23-52(126)66(140)69(143)89(155-23)153-22-44-74(64(138)47(84(147)156-44)101-26(4)117)166-87-49(103-28(6)119)65(139)73(41(19-114)163-87)167-90-70(144)79(170-94-83(67(141)56(130)36(14-109)162-94)172-88-51(105-30(8)121)76(59(133)38(16-111)159-88)169-92-72(146)81(61(135)40(18-113)161-92)176-98(96(150)151)10-32(123)46(100-25(3)116)78(174-98)54(128)34(125)12-107)62(136)43(164-90)21-154-93-82(171-86-48(102-27(5)118)63(137)55(129)35(13-108)158-86)68(142)57(131)42(165-93)20-152-85-50(104-29(7)120)75(58(132)37(15-110)157-85)168-91-71(145)80(60(134)39(17-112)160-91)175-97(95(148)149)9-31(122)45(99-24(2)115)77(173-97)53(127)33(124)11-106/h23,31-94,106-114,122-147H,9-22H2,1-8H3,(H,99,115)(H,100,116)(H,101,117)(H,102,118)(H,103,119)(H,104,120)(H,105,121)(H,148,149)(H,150,151)/t23-,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-,89+,90-,91-,92-,93-,94+,97-,98-/m0/s1