Complex glycan structure

Cross-references

GlyTouCan : G68283NG

GlyGen : G68283NG

ChEBI : 153080

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Composition

Hex:6 HexNAc:5 dHex:2

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IUPAC

Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Fuc(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:b-dglc-HEX-1:5
11s:n-acetyl
12b:b-dgal-HEX-1:5
13b:a-dman-HEX-1:5
14b:b-dglc-HEX-1:5
15s:n-acetyl
16b:a-lgal-HEX-1:5|6:d
17b:b-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
9:9o(3+1)10d
10:10d(2+1)11n
11:10o(4+1)12d
12:5o(6+1)13d
13:13o(2+1)14d
14:14d(2+1)15n
15:14o(3+1)16d
16:14o(4+1)17d
17:1o(6+1)18d

GWS

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

Glycam

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

InCHI key

IMPMEMQFOVTKGS-PEFSDKBCSA-N

InCHI

InChI=1S/C88H147N5O64/c1-19-42(108)54(120)60(126)81(135-19)133-18-36-69(50(116)37(76(132)137-36)89-21(3)103)148-77-38(90-22(4)104)51(117)68(32(14-100)143-77)151-86-65(131)73(49(115)35(147-86)17-134-87-74(58(124)46(112)28(10-96)141-87)156-80-41(93-25(7)107)71(153-82-61(127)55(121)43(109)20(2)136-82)70(34(16-102)146-80)152-84-63(129)57(123)45(111)27(9-95)139-84)155-88-75(59(125)47(113)29(11-97)142-88)157-79-40(92-24(6)106)53(119)67(33(15-101)145-79)150-85-64(130)72(48(114)30(12-98)140-85)154-78-39(91-23(5)105)52(118)66(31(13-99)144-78)149-83-62(128)56(122)44(110)26(8-94)138-83/h19-20,26-88,94-102,108-132H,8-18H2,1-7H3,(H,89,103)(H,90,104)(H,91,105)(H,92,106)(H,93,107)/t19-,20-,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