Core 3 glycan structure

Cross-references

GlyTouCan : G64102JR

GlyGen : G64102JR

ChEBI : 152801

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Composition

Hex:2 HexNAc:4 NeuAc:3

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IUPAC

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

GlycoCT

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

GWS

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

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)C)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@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)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[C@@]8(C[C@@H]([C@H]([C@@H](O8)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O

InCHI key

VCKNUQHXYVADSB-GYEYQROXSA-N

InCHI

InChI=1S/C77H125N7O55/c1-20(91)78-39-27(98)8-75(72(117)118,137-61(39)46(104)30(101)11-85)123-17-36-50(108)60(45(66(116)126-36)84-26(7)97)134-68-43(82-24(5)95)54(112)58(34(15-89)128-68)132-71-57(115)65(52(110)38(131-71)19-125-77(74(121)122)10-29(100)41(80-22(3)93)63(139-77)48(106)32(103)13-87)136-69-44(83-25(6)96)55(113)59(35(16-90)129-69)133-70-56(114)64(135-67-42(81-23(4)94)53(111)49(107)33(14-88)127-67)51(109)37(130-70)18-124-76(73(119)120)9-28(99)40(79-21(2)92)62(138-76)47(105)31(102)12-86/h27-71,85-90,98-116H,8-19H2,1-7H3,(H,78,91)(H,79,92)(H,80,93)(H,81,94)(H,82,95)(H,83,96)(H,84,97)(H,117,118)(H,119,120)(H,121,122)/t27-,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-,75+,76+,77+/m0/s1