Core 3 glycan structure

Cross-references

GlyTouCan : G90221FQ

GlyGen : G90221FQ

ChEBI : 154775

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Composition

Hex:1 HexNAc:2 dHex:2 NeuAc:1

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IUPAC

Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]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:a-lgal-HEX-1:5|6:d
6b:b-dgal-HEX-1:5
7b:a-lgal-HEX-1:5|6:d
8b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
9s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3d(2+1)4n
4:3o(3+1)5d
5:3o(4+1)6d
6:6o(2+1)7d
7:1o(6+2)8d
8:8d(5+1)9n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p--2a1L-Fuc,p)--6a2D-NeuAc,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](O[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)CO)O[C@@H]5[C@H]([C@H](O[C@@H]([C@@H]5O)CO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)NC(=O)C)O)O)O

InCHI key

FOUIUHFBWCJSCO-WTWMRTOFSA-N

InCHI

InChI=1S/C45H75N3O32/c1-11-24(57)29(62)32(65)41(71-11)78-37-23(48-15(5)54)40(75-19(9-51)34(37)76-43-38(31(64)27(60)18(8-50)74-43)79-42-33(66)30(63)25(58)12(2)72-42)77-35-22(47-14(4)53)39(67)73-20(28(35)61)10-70-45(44(68)69)6-16(55)21(46-13(3)52)36(80-45)26(59)17(56)7-49/h11-12,16-43,49-51,55-67H,6-10H2,1-5H3,(H,46,52)(H,47,53)(H,48,54)(H,68,69)/t11-,12-,16-,17+,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-,45+/m0/s1