Core 2 glycan structure

Cross-references

GlyTouCan : G77550KK

GlyGen : G77550KK

ChEBI : 153788

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Composition

Hex:4 HexNAc:4 dHex:3 NeuAc:1

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IUPAC

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

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p(--3b1D-Gal,p--2a1L-Fuc,p)--4a1L-Fuc,p)--6b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,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](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)NC(=O)C)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)OC[C@@H]7[C@@H]([C@@H]([C@H]([C@H](O7)O)NC(=O)C)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@@]9(C[C@@H]([C@H]([C@@H](O9)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)CO)CO[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[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)NC(=O)C)O)CO)O)O)O

InCHI key

RZVSYQKSUBHDIZ-VORZIKFWSA-N

InCHI

InChI=1S/C85H141N5O61/c1-19-42(105)52(115)57(120)77(131-19)143-65-34(16-97)140-76(41(90-26(8)102)69(65)147-83-72(56(119)47(110)30(12-93)137-83)149-79-59(122)54(117)44(107)21(3)133-79)148-70-50(113)36(18-130-75-40(89-25(7)101)68(146-78-58(121)53(116)43(106)20(2)132-78)64(33(15-96)139-75)144-80-60(123)55(118)46(109)29(11-92)135-80)141-81(61(70)124)142-63-32(14-95)138-74(38(51(63)114)87-23(5)99)129-17-35-49(112)66(39(73(126)134-35)88-24(6)100)145-82-62(125)71(48(111)31(13-94)136-82)151-85(84(127)128)9-27(103)37(86-22(4)98)67(150-85)45(108)28(104)10-91/h19-21,27-83,91-97,103-126H,9-18H2,1-8H3,(H,86,98)(H,87,99)(H,88,100)(H,89,101)(H,90,102)(H,127,128)/t19-,20-,21-,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-,85-/m0/s1