Structure

Cross-references

GlyTouCan : G75749JP

GlyGen : G75749JP

ChEBI : 154135

---

Composition

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

---

IUPAC

Fuc(a1-2)[GlcNAc(b1-3)]Gal(b1-3)[NeuAc(a2-6)]GalNAc

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p(--2a1L-Fuc,p)--3b1D-GlcNAc,p)--6a2D-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]([C@H](O[C@H]2O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO[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)NC(=O)C)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O)O)O

InCHI key

QLIUTQSIIJCHEK-BJMDESQDSA-N

InCHI

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