Complex glycan structure

Cross-references

GlyTouCan : G46470AD

GlyGen : G46470AD

ChEBI : 151177

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Composition

Hex:5 HexNAc:4 NeuGc:2

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IUPAC

NeuGc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)[NeuGc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)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-dgro-dgal-NON-2:6|1:a|2:keto|3:d
17s:n-glycolyl
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(3+2)16d
16:16d(5+1)17n

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--3a2D-NeuGc,p$MONO,Und,0,0,freeEnd

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@@]7(C[C@@H]([C@H]([C@@H](O7)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=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

InCHI key

RUEHVFMWVPXVPJ-XSTWCDHCSA-N

InCHI

InChI=1S/C84H138N6O64/c1-20(102)85-41-52(119)62(31(12-96)136-72(41)129)145-73-42(86-21(2)103)53(120)64(33(14-98)140-73)147-77-60(127)68(149-80-71(58(125)48(115)29(10-94)139-80)151-75-44(88-23(4)105)54(121)63(32(13-97)142-75)146-76-59(126)56(123)49(116)36(144-76)19-135-83(81(130)131)5-24(106)39(89-37(110)16-100)66(152-83)45(112)26(108)7-91)51(118)35(143-77)18-134-79-70(57(124)47(114)28(9-93)138-79)150-74-43(87-22(3)104)55(122)65(34(15-99)141-74)148-78-61(128)69(50(117)30(11-95)137-78)154-84(82(132)133)6-25(107)40(90-38(111)17-101)67(153-84)46(113)27(109)8-92/h24-36,39-80,91-101,106-109,112-129H,5-19H2,1-4H3,(H,85,102)(H,86,103)(H,87,104)(H,88,105)(H,89,110)(H,90,111)(H,130,131)(H,132,133)/t24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,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+,83+,84-/m0/s1