Complex glycan structure

Cross-references

GlyTouCan : G74928QN

GlyGen : G74928QN

ChEBI : 153879

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Composition

Hex:8 HexNAc:5 dHex:1

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IUPAC

Gal(a1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(a1-3)Gal(b1-4)GlcNAc(b1-6)]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:a-dgal-HEX-1:5
15b:b-dglc-HEX-1:5
16s:n-acetyl
17b:b-dgal-HEX-1:5
18b:a-dgal-HEX-1:5
19b: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
13:13o(3+1)14d
14:10o(6+1)15d
15:15d(2+1)16n
16:15o(4+1)17d
17:17o(3+1)18d
18:1o(6+1)19d

GWS

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

Glycam

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

VJHIUBIVONADLQ-LMOCEIFBSA-N

InCHI

InChI=1S/C94H157N5O70/c1-20-44(115)58(129)64(135)86(146-20)144-19-38-75(53(124)39(81(142)147-38)95-21(2)110)160-83-41(97-23(4)112)55(126)74(34(15-108)155-83)164-92-70(141)78(167-94-80(62(133)48(119)29(10-103)153-94)169-85-43(99-25(6)114)56(127)72(33(14-107)157-85)161-87-65(136)59(130)45(116)26(7-100)148-87)52(123)37(158-92)18-145-93-79(168-84-42(98-24(5)113)57(128)73(35(16-109)156-84)163-91-69(140)77(51(122)31(12-105)152-91)166-89-67(138)61(132)47(118)28(9-102)150-89)63(134)49(120)36(159-93)17-143-82-40(96-22(3)111)54(125)71(32(13-106)154-82)162-90-68(139)76(50(121)30(11-104)151-90)165-88-66(137)60(131)46(117)27(8-101)149-88/h20,26-94,100-109,115-142H,7-19H2,1-6H3,(H,95,110)(H,96,111)(H,97,112)(H,98,113)(H,99,114)/t20-,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+,89+,90-,91-,92-,93-,94+/m0/s1