Core 0 glycan structure

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3D structure from GLYCAM

Cross-references

GlyTouCan : G65832SQ

GlyGen : G65832SQ

ChEBI : 72468


Composition

HexNAc:1 NeuGc:1


IUPAC

NeuGc(a2-6)GalNAc

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,p--6a2D-NeuGc,p$MONO,Und,0,0,freeEnd

SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O)O)O

InCHI key

IKLJMSMMTKMQHU-KPHPISRRSA-N

InCHI

InChI=1S/C19H32N2O15/c1-6(24)20-12-15(30)14(29)9(35-17(12)31)5-34-19(18(32)33)2-7(25)11(21-10(27)4-23)16(36-19)13(28)8(26)3-22/h7-9,11-17,22-23,25-26,28-31H,2-5H2,1H3,(H,20,24)(H,21,27)(H,32,33)/t7-,8+,9+,11+,12+,13+,14-,15+,16+,17-,19+/m0/s1