Complex glycan structure

Cross-references

GlyTouCan : G87535DG

GlyGen : G87535DG

ChEBI : 154875

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Composition

Hex:6 HexNAc:4 dHex:2

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IUPAC

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

GWS

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

Glycam

DGalpa1-3[LFucpa1-2]DGalpb1-4DGlcpNAcb1-2DManpa1-3[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)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)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)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

BHEYXDNBNZTDJD-KBMBXQIRSA-N

InCHI

InChI=1S/C80H134N4O59/c1-17-37(97)49(109)55(115)73(123-17)121-16-32-63(45(105)33(69(120)125-32)81-19(3)93)135-70-34(82-20(4)94)46(106)61(29(13-91)131-70)137-77-59(119)64(44(104)31(134-77)15-122-78-66(53(113)41(101)25(9-87)128-78)141-71-35(83-21(5)95)47(107)60(28(12-90)132-71)136-75-57(117)51(111)39(99)23(7-85)126-75)139-79-67(54(114)42(102)26(10-88)129-79)142-72-36(84-22(6)96)48(108)62(30(14-92)133-72)138-80-68(143-74-56(116)50(110)38(98)18(2)124-74)65(43(103)27(11-89)130-80)140-76-58(118)52(112)40(100)24(8-86)127-76/h17-18,23-80,85-92,97-120H,7-16H2,1-6H3,(H,81,93)(H,82,94)(H,83,95)(H,84,96)/t17-,18-,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+,77-,78-,79+,80-/m0/s1