Core 2 glycan structure

Cross-references

GlyTouCan : G84821OV

GlyGen : G84821OV

ChEBI : 154980

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Composition

Hex:4 HexNAc:5 dHex:2 NeuAc:1

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IUPAC

Fuc(a1-2)Gal(b1-3)GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:b-dglc-HEX-1:5
5s:n-acetyl
6b:b-dgal-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:b-dglc-HEX-1:5
12s:n-acetyl
13b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
14s:n-acetyl
15b:b-dglc-HEX-1:5
16s:n-acetyl
17b:b-dgal-HEX-1:5
18b:a-lgal-HEX-1:5|6:d
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(3+1)4d
4:4d(2+1)5n
5:4o(4+1)6d
6:6o(3+1)7d
7:7d(2+1)8n
8:7o(3+1)9d
9:9o(2+1)10d
10:6o(6+1)11d
11:11d(2+1)12n
12:3o(6+2)13d
13:13d(5+1)14n
14:1o(6+1)15d
15:15d(2+1)16n
16:15o(4+1)17d
17:17o(2+1)18d

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p--3b1D-Gal,p--2a1L-Fuc,p)--6b1D-GlcNAc,p)--6a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--2a1L-Fuc,p$MONO,Und,0,0,freeEnd

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)O)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)NC(=O)C)O)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[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)CO)CO)O)O)O)O)O

InCHI key

XGFZXTZPMHFUNP-CYBURLKRSA-N

InCHI

InChI=1S/C87H144N6O62/c1-20-45(109)58(122)62(126)80(136-20)153-73-60(124)49(113)31(12-96)141-84(73)148-67-34(15-99)143-77(41(56(67)120)90-24(5)103)133-17-36-52(116)68(43(75(130)138-36)92-26(7)105)149-83-65(129)72(54(118)38(146-83)19-135-87(86(131)132)9-28(107)39(88-22(3)101)70(155-87)47(111)29(108)10-94)151-78-42(91-25(6)104)57(121)66(35(16-100)144-78)147-82-64(128)71(53(117)37(145-82)18-134-76-40(89-23(4)102)55(119)48(112)30(11-95)139-76)152-79-44(93-27(8)106)69(51(115)33(14-98)140-79)150-85-74(61(125)50(114)32(13-97)142-85)154-81-63(127)59(123)46(110)21(2)137-81/h20-21,28-85,94-100,107-130H,9-19H2,1-8H3,(H,88,101)(H,89,102)(H,90,103)(H,91,104)(H,92,105)(H,93,106)(H,131,132)/t20-,21-,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-,87+/m0/s1