Complex glycan structure

Cross-references

GlyTouCan : G82320NZ

GlyGen : G82320NZ

ChEBI : 154277

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Composition

Hex:6 HexNAc:5

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IUPAC

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

GWS

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

Glycam

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

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@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)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)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O

InCHI key

SEZKKWCGLLAMPW-JVMOWAEMSA-N

InCHI

InChI=1S/C76H127N5O56/c1-17(92)77-33-44(103)57(27(11-87)118-66(33)116)129-67-34(78-18(2)93)45(104)61(30(14-90)124-67)133-74-56(115)63(135-76-65(52(111)41(100)25(9-85)123-76)137-70-37(81-21(5)96)47(106)59(29(13-89)127-70)131-72-54(113)50(109)39(98)23(7-83)120-72)43(102)32(128-74)16-117-75-64(51(110)40(99)24(8-84)122-75)136-69-36(80-20(4)95)48(107)60(31(15-91)126-69)132-73-55(114)62(42(101)26(10-86)121-73)134-68-35(79-19(3)94)46(105)58(28(12-88)125-68)130-71-53(112)49(108)38(97)22(6-82)119-71/h22-76,82-91,97-116H,6-16H2,1-5H3,(H,77,92)(H,78,93)(H,79,94)(H,80,95)(H,81,96)/t22-,23-,24-,25-,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-/m1/s1