Complex glycan structure

Cross-references

GlyTouCan : G26949IX

GlyGen : G26949IX

ChEBI : 148819

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Composition

Hex:6 HexNAc:4 dHex:1

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IUPAC

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

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man(--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p)--6a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--3a1D-Gal,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGalpa1-3DGalpb1-4DGlcpNAcb1-2DManpa1-6]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[C@@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)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)O)O

InCHI key

BVVGIHWLSJZXLY-DHPAHXJVSA-N

InCHI

InChI=1S/C74H124N4O55/c1-16-35(91)46(102)51(107)68(115-16)113-15-30-59(42(98)31(64(112)116-30)75-17(2)87)126-65-32(76-18(3)88)43(99)58(27(12-85)122-65)129-72-55(111)61(131-74-63(50(106)39(95)24(9-82)121-74)133-67-34(78-20(5)90)44(100)56(26(11-84)124-67)127-69-52(108)47(103)36(92)21(6-79)117-69)41(97)29(125-72)14-114-73-62(49(105)38(94)23(8-81)120-73)132-66-33(77-19(4)89)45(101)57(28(13-86)123-66)128-71-54(110)60(40(96)25(10-83)119-71)130-70-53(109)48(104)37(93)22(7-80)118-70/h16,21-74,79-86,91-112H,6-15H2,1-5H3,(H,75,87)(H,76,88)(H,77,89)(H,78,90)/t16-,21+,22+,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+/m0/s1