No-core glycan structure

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No image
O-Linked / No-core (avg mass : 471.4156)

3D structure from GLYCAM

Cross-references

GlyTouCan : G71814NS

GlyGen : G71814NS

ChEBI : 153223


Composition

Hex:1 NeuAc:1


IUPAC

NeuAc(a2-3)Gal

GlycoCT

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

GWS

freeEnd--?a1D-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)CO)O)O

InCHI key

GKHDMBQTTHCDCR-MLXSRQEASA-N

InCHI

InChI=1S/C17H29NO14/c1-5(21)18-9-6(22)2-17(16(28)29,31-13(9)10(24)7(23)3-19)32-14-11(25)8(4-20)30-15(27)12(14)26/h6-15,19-20,22-27H,2-4H2,1H3,(H,18,21)(H,28,29)/t6-,7+,8+,9+,10+,11-,12+,13+,14-,15-,17-/m0/s1