No-core glycan structure

Cross-references

GlyTouCan : G35562PU

GlyGen : G35562PU

ChEBI : 150322

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Composition

Hex:2 NeuAc:1

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IUPAC

NeuAc(a2-3)Man(b1-4)Glc

GlycoCT

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

GWS

freeEnd--??1D-Glc,p--4b1D-Man,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](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O

InCHI key

CILYIEBUXJIHCO-GUCFOALNSA-N

InCHI

InChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8+,9+,10+,11+,12+,13+,14+,15+,16-,17+,18+,19-,20?,21-,23-/m0/s1