Core 4 glycan structure

Cross-references

GlyTouCan : G66991YE

GlyGen : G66991YE

ChEBI : 152888

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Composition

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

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IUPAC

NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)[GlcNAc(b1-3)]GalNAc

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-GlcNAc,p)--6b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p--3a2D-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[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)CO)OC[C@@H]5[C@@H]([C@@H]([C@H]([C@H](O5)O)NC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)NC(=O)C)O)O)O

InCHI key

ZJKRHLQCCLUAIS-CLAFOWBZSA-N

InCHI

InChI=1S/C47H78N4O33/c1-12-27(62)33(68)34(69)44(75-12)82-39-26(51-16(5)59)42(74-11-22-31(66)37(25(41(71)76-22)50-15(4)58)81-43-24(49-14(3)57)32(67)29(64)19(8-53)77-43)79-21(10-55)36(39)80-45-35(70)40(30(65)20(9-54)78-45)84-47(46(72)73)6-17(60)23(48-13(2)56)38(83-47)28(63)18(61)7-52/h12,17-45,52-55,60-71H,6-11H2,1-5H3,(H,48,56)(H,49,57)(H,50,58)(H,51,59)(H,72,73)/t12-,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-,44-,45-,47-/m0/s1