Complex glycan structure

Cross-references

GlyTouCan : G22898PA

GlyGen : G22898PA

ChEBI : 148520

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Composition

Hex:5 HexNAc:4 dHex:3

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IUPAC

Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)Man(a1-6)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-4)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:a-lgal-HEX-1:5|6:d
10b:b-dgal-HEX-1:5
11b:a-dman-HEX-1:5
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:a-lgal-HEX-1:5|6:d
15b:b-dgal-HEX-1:5
16b: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(4+1)7d
7:7d(2+1)8n
8:7o(3+1)9d
9:7o(4+1)10d
10:5o(6+1)11d
11:11o(2+1)12d
12:12d(2+1)13n
13:12o(3+1)14d
14:12o(4+1)15d
15:1o(6+1)16d

GWS

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

Glycam

DGalpb1-4[LFucpa1-3]DGlcpNAcb1-4DManpa1-3[DGalpb1-4[LFucpa1-3]DGlcpNAcb1-2DManpa1-6]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[C@H]8[C@H]([C@@H]([C@@H]([C@@H](O8)C)O)O)O)NC(=O)C)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)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)NC(=O)C)O)O)O)O)NC(=O)C)O)O)O

InCHI key

UQDUZCBHPAISHA-COPMOAHASA-N

InCHI

InChI=1S/C80H134N4O58/c1-17-37(96)46(105)53(112)73(122-17)120-16-32-62(44(103)33(69(119)125-32)81-20(4)92)135-70-34(82-21(5)93)45(104)60(27(11-88)129-70)136-79-59(118)67(141-78-58(117)52(111)61(28(12-89)132-78)134-71-35(83-22(6)94)65(139-74-54(113)47(106)38(97)18(2)123-74)63(29(13-90)130-71)137-76-56(115)49(108)40(99)24(8-85)126-76)43(102)31(133-79)15-121-80-68(51(110)42(101)26(10-87)128-80)142-72-36(84-23(7)95)66(140-75-55(114)48(107)39(98)19(3)124-75)64(30(14-91)131-72)138-77-57(116)50(109)41(100)25(9-86)127-77/h17-19,24-80,85-91,96-119H,8-16H2,1-7H3,(H,81,92)(H,82,93)(H,83,94)(H,84,95)/t17-,18-,19-,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-,77-,78+,79-,80-/m0/s1