Structure

Cross-references

GlyTouCan : G88696BY

GlyGen : G88696BY

ChEBI : -

---

Composition

Hex:1 HexNAc:2 dHex:1 NeuAc:1

---

IUPAC

NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)GalNAc

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,p--3b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p--3a2D-NeuAc,p$MONO,Und,0,0,freeEnd

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)CO)O[C@@H]5[C@H]([C@H](O[C@@H]([C@@H]5O)CO)O)NC(=O)C)NC(=O)C)O)O)O

InCHI key

OVEDXEYGRNHVJN-VBHHXNSBSA-N

InCHI

InChI=1S/C39H65N3O28/c1-10-22(52)26(56)27(57)36(62-10)68-32-21(42-13(4)49)35(67-30-20(41-12(3)48)34(59)63-16(7-44)24(30)54)65-18(9-46)29(32)66-37-28(58)33(25(55)17(8-45)64-37)70-39(38(60)61)5-14(50)19(40-11(2)47)31(69-39)23(53)15(51)6-43/h10,14-37,43-46,50-59H,5-9H2,1-4H3,(H,40,47)(H,41,48)(H,42,49)(H,60,61)/t10-,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