Complex glycan structure

Cross-references

GlyTouCan : G46406BL

GlyGen : G46406BL

ChEBI : 151159

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Composition

Hex:5 HexNAc:4 dHex:2 NeuAc:1

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IUPAC

Fuc(a1-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-6)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
16b:a-lgal-HEX-1:5|6:d
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(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
15:15o(6+1)16d
16:1o(6+1)17d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--6a1L-Fuc,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[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)NC(=O)C)O)CO[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O)CO)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[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)O)O)NC(=O)C)O)CO)O)O)CO)O)O)O)O)O)O

InCHI key

ASBNHTOUNUNLIA-ZVCJMEPLSA-N

InCHI

InChI=1S/C85H141N5O62/c1-19-42(104)54(116)60(122)77(134-19)130-15-33-47(109)56(118)62(124)79(142-33)146-65-30(12-94)140-75(40(52(65)114)89-24(6)100)150-71-58(120)45(107)28(10-92)137-82(71)132-16-34-49(111)70(64(126)81(143-34)148-67-32(14-96)139-74(39(51(67)113)88-23(5)99)145-68-36(136-73(127)38(50(68)112)87-22(4)98)17-131-78-61(123)55(117)43(105)20(2)135-78)149-83-72(59(121)46(108)29(11-93)138-83)151-76-41(90-25(7)101)53(115)66(31(13-95)141-76)147-80-63(125)57(119)48(110)35(144-80)18-133-85(84(128)129)8-26(102)37(86-21(3)97)69(152-85)44(106)27(103)9-91/h19-20,26-83,91-96,102-127H,8-18H2,1-7H3,(H,86,97)(H,87,98)(H,88,99)(H,89,100)(H,90,101)(H,128,129)/t19-,20-,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-,80-,81-,82-,83+,85+/m0/s1