Structure

Cross-references

GlyTouCan : G71549TN

GlyGen : G71549TN

ChEBI : 153173

---

Composition

Hex:1 HexNAc:2 NeuAc:1

---

IUPAC

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

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--3b1D-GlcNAc,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)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)O)O)O

InCHI key

RQLQUFYUXDKJAY-YQVNJLHLSA-N

InCHI

InChI=1S/C33H55N3O24/c1-9(40)34-17-12(43)4-33(32(52)53,60-27(17)20(45)13(44)5-37)54-8-16-23(48)26(19(29(51)55-16)36-11(3)42)58-31-25(50)28(22(47)15(7-39)57-31)59-30-18(35-10(2)41)24(49)21(46)14(6-38)56-30/h12-31,37-39,43-51H,4-8H2,1-3H3,(H,34,40)(H,35,41)(H,36,42)(H,52,53)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24+,25+,26+,27+,28-,29-,30-,31-,33+/m0/s1