Complex glycan structure

Cross-references

GlyTouCan : G09150LP

GlyGen : G09150LP

ChEBI : 146942

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Composition

Hex:5 HexNAc:6 dHex:1

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IUPAC

Gal(b1-4)GlcNAc(b1-4)[GalNAc(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
10s:n-acetyl
11b:b-dglc-HEX-1:5
12s:n-acetyl
13b:b-dgal-HEX-1:5
14b:a-dman-HEX-1:5
15b:b-dglc-HEX-1:5
16s:n-acetyl
17b:b-dgal-HEX-1:5
18b: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
9:9d(2+1)10n
10:6o(4+1)11d
11:11d(2+1)12n
12:11o(4+1)13d
13:5o(6+1)14d
14:14o(2+1)15d
15:15d(2+1)16n
16:15o(4+1)17d
17:1o(6+1)18d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man(--2b1D-GlcNAc,p--4b1D-GalNAc,p)--4b1D-GlcNAc,p--4b1D-Gal,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

DGalpNAcb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-4]DManpa1-3[DGalpb1-4DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH

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[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)O)O)NC(=O)C)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)O)O)NC(=O)C)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

ZDAURRJVOJCMSA-PSOOCGHZSA-N

InCHI

InChI=1S/C84H140N6O60/c1-19-43(106)55(118)59(122)79(130-19)128-18-36-69(50(113)37(73(127)131-36)85-20(2)100)144-76-40(88-23(5)103)53(116)67(33(15-98)137-76)147-82-63(126)70(48(111)35(141-82)17-129-83-71(58(121)47(110)29(11-94)135-83)149-77-42(90-25(7)105)54(117)66(32(14-97)139-77)146-81-61(124)57(120)46(109)28(10-93)134-81)148-84-72(150-78-41(89-24(6)104)51(114)64(30(12-95)138-78)142-74-38(86-21(3)101)49(112)44(107)26(8-91)132-74)62(125)68(34(16-99)140-84)143-75-39(87-22(4)102)52(115)65(31(13-96)136-75)145-80-60(123)56(119)45(108)27(9-92)133-80/h19,26-84,91-99,106-127H,8-18H2,1-7H3,(H,85,100)(H,86,101)(H,87,102)(H,88,103)(H,89,104)(H,90,105)/t19-,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-,84+/m0/s1