Complex glycan structure

Cross-references

GlyTouCan : G46185ND

GlyGen : G46185ND

ChEBI : 151121

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Composition

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

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IUPAC

HSO3(-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-3)Gal(b1-4)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-dgal-HEX-1:5
16s:sulfate
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
8:7o(4+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
14:13o(4+1)15d
15:15o(3+1)16n
16:1o(6+1)17d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1D-Man,p(--3a1D-Man,p--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p)--6a1D-Man,p--2b1D-GlcNAc,p--4b1D-Gal,p--3?1S)--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)OS(=O)(=O)O)O)O)NC(=O)C)O)O[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)O)NC(=O)C)O)O)O

InCHI key

PCHCFYYNIXVVOU-QKOQJLSTSA-N

InCHI

InChI=1S/C79H131N5O61S/c1-18-40(100)51(111)54(114)72(126-18)124-17-34-61(47(107)36(68(118)127-34)81-20(3)94)136-69-37(82-21(4)95)48(108)58(30(13-90)132-69)137-73-55(115)63(46(106)33(135-73)16-125-76-66(52(112)42(102)26(9-86)130-76)141-70-38(83-22(5)96)49(109)60(32(15-92)133-70)139-75-57(117)65(145-146(121,122)123)45(105)29(12-89)129-75)140-77-67(53(113)43(103)27(10-87)131-77)142-71-39(84-23(6)97)50(110)59(31(14-91)134-71)138-74-56(116)64(44(104)28(11-88)128-74)144-79(78(119)120)7-24(98)35(80-19(2)93)62(143-79)41(101)25(99)8-85/h18,24-77,85-92,98-118H,7-17H2,1-6H3,(H,80,93)(H,81,94)(H,82,95)(H,83,96)(H,84,97)(H,119,120)(H,121,122,123)/t18-,24-,25+,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+,79-/m0/s1