Core 3 glycan structure

Cross-references

GlyTouCan : G39247UK

GlyGen : G39247UK

ChEBI : 150484

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Composition

Hex:3 HexNAc:4 NeuAc:3

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IUPAC

NeuAc(a2-6)Gal(b1-3)GlcNAc(b1-3)[NeuAc(a2-6)Gal(b1-3)GlcNAc(b1-6)]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:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
10s:n-acetyl
11b:b-dglc-HEX-1:5
12s:n-acetyl
13b:b-dgal-HEX-1:5
14b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
15s:n-acetyl
16b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
17s: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(3+1)8d
8:8o(6+2)9d
9:9d(5+1)10n
10:5o(6+1)11d
11:11d(2+1)12n
12:11o(3+1)13d
13:13o(6+2)14d
14:14d(5+1)15n
15:1o(6+2)16d
16:16d(5+1)17n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p--3b1D-Gal,p--6a2D-NeuAc,p)--6b1D-GlcNAc,p--3b1D-Gal,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@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO[C@@]7(C[C@@H]([C@H]([C@@H](O7)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)C)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O

InCHI key

BCAHZXKYGIKWRJ-MRWZGEPOSA-N

InCHI

InChI=1S/C83H135N7O60/c1-21(97)84-41-28(104)8-81(78(126)127,148-67(41)48(110)31(107)11-91)133-18-38-51(113)58(120)60(122)75(141-38)145-65-46(89-26(6)102)72(137-34(14-94)53(65)115)132-17-37-56(118)70(147-74-47(90-27(7)103)66(54(116)35(15-95)138-74)146-76-61(123)59(121)52(114)39(142-76)19-134-82(79(128)129)9-29(105)42(85-22(2)98)68(149-82)49(111)32(108)12-92)62(124)77(140-37)143-63-36(16-96)139-73(44(57(63)119)87-24(4)100)144-64-45(88-25(5)101)71(125)136-40(55(64)117)20-135-83(80(130)131)10-30(106)43(86-23(3)99)69(150-83)50(112)33(109)13-93/h28-77,91-96,104-125H,8-20H2,1-7H3,(H,84,97)(H,85,98)(H,86,99)(H,87,100)(H,88,101)(H,89,102)(H,90,103)(H,126,127)(H,128,129)(H,130,131)/t28-,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-,81+,82+,83+/m0/s1