No-core glycan structure

Cross-references

GlyTouCan : G24529NQ

GlyGen : G24529NQ

ChEBI : 148912

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Composition

Hex:1 HexNAc:1 NeuAc:1

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IUPAC

NeuAc(a2-6)Man(b1-4)GlcNAc

GlycoCT

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

GWS

freeEnd--?b1D-GlcNAc,p--4b1Man--6a2D-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)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)NC(=O)C)O)CO)O)O)O)O

InCHI key

RPSBVJXBTXEJJG-NVGSNYCGSA-N

InCHI

InChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16+,17+,18-,19-,20+,21+,22?,23-,25+/m0/s1