Complex glycan structure

Cross-references

GlyTouCan : G29449JO

GlyGen : G29449JO

ChEBI : 148704

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Composition

Hex:7 HexNAc:5 dHex:1

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IUPAC

Gal(a1-3)Gal(b1-4)GlcNAc(b1-6)[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:b-dglc-HEX-1:5
15s:n-acetyl
16b:b-dgal-HEX-1:5
17b:a-dgal-HEX-1:5
18b: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
13:10o(6+1)14d
14:14d(2+1)15n
15:14o(4+1)16d
16:16o(3+1)17d
17:1o(6+1)18d

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGalpb1-4DGlcpNAcb1-2[DGalpa1-3DGalpb1-4DGlcpNAcb1-6]DManpa1-6]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[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)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)O)O)NC(=O)C)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)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

LGKROAQTJPZQOB-KXYRNITPSA-N

InCHI

InChI=1S/C88H147N5O65/c1-19-42(108)55(121)61(127)81(137-19)135-18-36-71(50(116)37(76(133)138-36)89-20(2)103)150-78-39(91-22(4)105)52(118)70(33(15-102)145-78)154-86-66(132)73(156-88-75(59(125)46(112)28(10-97)143-88)158-80-41(93-24(6)107)54(120)69(32(14-101)147-80)152-83-63(129)57(123)44(110)26(8-95)140-83)49(115)35(148-86)17-136-87-74(157-79-40(92-23(5)106)53(119)68(31(13-100)146-79)151-82-62(128)56(122)43(109)25(7-94)139-82)60(126)47(113)34(149-87)16-134-77-38(90-21(3)104)51(117)67(30(12-99)144-77)153-85-65(131)72(48(114)29(11-98)142-85)155-84-64(130)58(124)45(111)27(9-96)141-84/h19,25-88,94-102,108-133H,7-18H2,1-6H3,(H,89,103)(H,90,104)(H,91,105)(H,92,106)(H,93,107)/t19-,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-,81+,82-,83-,84+,85-,86-,87-,88+/m0/s1