Core 2 glycan structure

Cross-references

GlyTouCan : G94941PK

GlyGen : G94941PK

ChEBI : 155259

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Composition

Hex:3 HexNAc:3 NeuAc:1

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IUPAC

Gal(b1-3)GlcNAc(b1-3)Gal(b1-3)[NeuAc(a2-3)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-dgro-dgal-NON-2:6|1:a|2:keto|3:d
11s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(3+1)4d
4:4d(2+1)5n
5:4o(3+1)6d
6:1o(6+1)7d
7:7d(2+1)8n
8:7o(4+1)9d
9:9o(3+2)10d
10:10d(5+1)11n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--3b1D-GlcNAc,p--3b1D-Gal,p)--6b1D-GlcNAc,p--4b1D-Gal,p--3a2D-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)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[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)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)NC(=O)C)O)O)CO)CO)O)O

InCHI key

DBQSQIHFSNBVIX-MWYDHJTGSA-N

InCHI

InChI=1S/C53H88N4O39/c1-13(64)54-25-17(68)5-53(52(82)83,95-43(25)29(70)18(69)6-58)96-45-33(74)22(10-62)89-51(39(45)80)91-40-23(11-63)90-47(26(35(40)76)55-14(2)65)84-12-24-34(75)41(27(46(81)85-24)56-15(3)66)92-50-38(79)44(32(73)21(9-61)88-50)94-48-28(57-16(4)67)42(31(72)20(8-60)86-48)93-49-37(78)36(77)30(71)19(7-59)87-49/h17-51,58-63,68-81H,5-12H2,1-4H3,(H,54,64)(H,55,65)(H,56,66)(H,57,67)(H,82,83)/t17-,18+,19+,20+,21+,22+,23+,24+,25+,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-,53-/m0/s1