Core 1 glycan structure

Cross-references

GlyTouCan : G80416YI

GlyGen : G80416YI

ChEBI : 153798

---

Composition

Hex:2 HexNAc:1 NeuGc:1

---

IUPAC

Gal(b1-4)Gal(b1-3)[NeuGc(a2-6)]GalNAc

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--4b1D-Gal,p)--6a2D-NeuGc,p$MONO,Und,0,0,freeEnd

SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O

InCHI key

QXTSCFKHQGHFNX-IBQXEMRESA-N

InCHI

InChI=1S/C31H52N2O25/c1-8(38)32-16-25(57-29-23(48)21(46)24(12(5-36)55-29)56-28-22(47)20(45)18(43)11(4-35)54-28)19(44)13(53-27(16)49)7-52-31(30(50)51)2-9(39)15(33-14(41)6-37)26(58-31)17(42)10(40)3-34/h9-13,15-29,34-37,39-40,42-49H,2-7H2,1H3,(H,32,38)(H,33,41)(H,50,51)/t9-,10+,11+,12+,13+,15+,16+,17+,18-,19-,20-,21+,22+,23+,24-,25+,26+,27-,28-,29-,31+/m0/s1