No-core glycan structure

Cross-references

GlyTouCan : G59126YU

GlyGen : G59126YU

ChEBI : 87761

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Composition

Hex:2 HexNAc:1 NeuAc:1

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IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man

GlycoCT

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

GWS

freeEnd--?a1D-Man,p--2b1D-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)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4O)CO)O)O)CO)CO)O)O

InCHI key

BJOHFALIQGGDQK-BSEFTXDESA-N

InCHI

InChI=1S/C31H52N2O24/c1-8(38)32-15-10(40)3-31(30(49)50,56-24(15)17(42)11(41)4-34)57-25-19(44)13(6-36)52-29(22(25)47)54-23-14(7-37)53-28(16(20(23)45)33-9(2)39)55-26-21(46)18(43)12(5-35)51-27(26)48/h10-29,34-37,40-48H,3-7H2,1-2H3,(H,32,38)(H,33,39)(H,49,50)/t10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24+,25-,26-,27-,28-,29-,31-/m0/s1