Complex glycan structure

Cross-references

GlyTouCan : G86555OF

GlyGen : G86555OF

ChEBI : 154617

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Composition

Hex:6 HexNAc:4 dHex:2

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IUPAC

Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Man(a1-2)Man(a1-3)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
12s:n-acetyl
13b:a-dman-HEX-1:5
14b:a-dman-HEX-1:5
15b:a-dman-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
11:11d(2+1)12n
12:5o(6+1)13d
13:13o(3+1)14d
14:14o(2+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-GalNAc,p)--6a1Man--3a1Man--2a1Man)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

DGalpNAca1-3[LFucpa1-2]DGalpb1-4DGlcpNAcb1-2DManpa1-3[DManpa1-2DManpa1-3DManpa1-6]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[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)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)NC(=O)C)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

MZOQMBXHRMOOCB-HUVITQOOSA-N

InCHI

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