Complex glycan structure

Cross-references

GlyTouCan : G30302VM

GlyGen : G30302VM

ChEBI : 148924

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Composition

Hex:5 HexNAc:4 dHex:1 NeuGc:1

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IUPAC

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

GWS

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

InCHI key

PRKAGSGJZJWVRK-VWTIYVHTSA-N

InCHI

InChI=1S/C79H131N5O59/c1-18-40(100)51(111)56(116)72(126-18)123-16-33-63(47(107)36(68(120)127-33)80-19(2)93)136-69-37(81-20(3)94)48(108)62(30(13-91)131-69)139-75-59(119)65(46(106)31(134-75)15-124-76-66(54(114)43(103)26(9-87)129-76)141-70-38(82-21(4)95)49(109)60(28(11-89)132-70)137-73-57(117)52(112)42(102)25(8-86)128-73)140-77-67(55(115)44(104)27(10-88)130-77)142-71-39(83-22(5)96)50(110)61(29(12-90)133-71)138-74-58(118)53(113)45(105)32(135-74)17-125-79(78(121)122)6-23(97)35(84-34(99)14-92)64(143-79)41(101)24(98)7-85/h18,23-33,35-77,85-92,97-98,100-120H,6-17H2,1-5H3,(H,80,93)(H,81,94)(H,82,95)(H,83,96)(H,84,99)(H,121,122)/t18-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,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