Complex glycan structure

Cross-references

GlyTouCan : G61088TM

GlyGen : G61088TM

ChEBI : 152281

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Composition

Hex:5 HexNAc:6 dHex:1

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IUPAC

Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[GlcNAc(b1-2)[GlcNAc(b1-6)]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:b-dglc-HEX-1:5
11s:n-acetyl
12b:b-dgal-HEX-1:5
13b:a-dman-HEX-1:5
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b:b-dglc-HEX-1:5
17s:n-acetyl
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
9:6o(4+1)10d
10:10d(2+1)11n
11:10o(4+1)12d
12:5o(6+1)13d
13:13o(2+1)14d
14:14d(2+1)15n
15:13o(6+1)16d
16:16d(2+1)17n
17:1o(6+1)18d

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-4]DManpa1-3[DGlcpNAcb1-2[DGlcpNAcb1-6]DManpa1-6]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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)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)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

ZXJUYOMENJAEJK-KMLAKUHNSA-N

InCHI

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