Structure

Cross-references

GlyTouCan : G15173TI

GlyGen : G15173TI

ChEBI : 147881

UniCarb-DB :

• 2614

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Composition

Hex:2 HexNAc:2 NeuAc:1

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IUPAC

NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:b-dglc-HEX-1:5
5s:n-acetyl
6b:b-dgal-HEX-1:5
7b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
8s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(3+1)4d
4:4d(2+1)5n
5:4o(4+1)6d
6:6o(6+2)7d
7:7d(5+1)8n

GWS

freeEnd--?a1D-GalNAc,p--3b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p--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](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H]([C@H](O[C@@H]([C@@H]5O)CO)O)NC(=O)C)CO)O)CO)O)O)O)O

InCHI key

WPLYIJJPUZAJNX-FYGDVDEDSA-N

InCHI

InChI=1S/C39H65N3O29/c1-10(47)40-19-13(50)4-39(38(61)62,71-32(19)22(52)14(51)5-43)63-9-18-23(53)27(57)28(58)36(67-18)68-30-17(8-46)66-35(20(26(30)56)41-11(2)48)70-33-25(55)16(7-45)65-37(29(33)59)69-31-21(42-12(3)49)34(60)64-15(6-44)24(31)54/h13-37,43-46,50-60H,4-9H2,1-3H3,(H,40,47)(H,41,48)(H,42,49)(H,61,62)/t13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35-,36-,37-,39+/m0/s1