Core 2 glycan structure

Cross-references

GlyTouCan : G39523KI

GlyGen : G39523KI

ChEBI : 150578

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Composition

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

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IUPAC

Fuc(a1-2)Gal(b1-3)GlcNAc(b1-3)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
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

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$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]([C@@H](O[C@@H]([C@H]3O)CO)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)OC[C@@H]6[C@@H]([C@@H]([C@H]([C@H](O6)O)NC(=O)C)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[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)CO)CO)O)NC(=O)C)CO)O)O)O)O)O

InCHI key

NHDODECXILRBRO-FSVSUXQNSA-N

InCHI

InChI=1S/C59H98N4O43/c1-14-31(76)39(84)41(86)54(93-14)104-50-40(85)33(78)21(8-65)98-57(50)102-46-30(63-18(5)73)53(95-22(9-66)34(46)79)103-48-35(80)23(10-67)96-55(42(48)87)100-44-25(12-69)99-52(28(38(44)83)61-16(3)71)92-13-26-37(82)45(29(51(89)94-26)62-17(4)72)101-56-43(88)49(36(81)24(11-68)97-56)106-59(58(90)91)6-19(74)27(60-15(2)70)47(105-59)32(77)20(75)7-64/h14,19-57,64-69,74-89H,6-13H2,1-5H3,(H,60,70)(H,61,71)(H,62,72)(H,63,73)(H,90,91)/t14-,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-,52+,53-,54-,55-,56-,57-,59-/m0/s1