No-core glycan structure

No image
O-Linked / No-core (avg mass : 707.6375)

3D structure from GLYCAM

Cross-references

GlyTouCan : G67808LV

GlyGen : G67808LV

ChEBI : 153018


Composition

Hex:3 HexNAc:1


IUPAC

GlcNAc(a1-2)Galf(a1-2)[Galf(b1-3)]Gal

GlycoCT

RES
1b:a-dgal-HEX-1:5
2b:a-dgal-HEX-1:4
3b:a-dglc-HEX-1:5
4s:n-acetyl
5b:b-dgal-HEX-1:4
LIN
1:1o(2+1)2d
2:2o(2+1)3d
3:3d(2+1)4n
4:1o(3+1)5d

GWS

freeEnd--?a1D-Gal,p(--2a1D-Gal,f--2a1D-GlcNAc,p)--3b1D-Gal,f$MONO,Und,0,0,freeEnd

SMILES

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

InCHI key

IKKMXLZMWWVKTD-ZVKUALDXSA-N

InCHI

InChI=1S/C26H45NO21/c1-6(32)27-11-14(37)12(35)9(4-30)43-24(11)47-21-17(40)19(8(34)3-29)45-26(21)48-22-20(13(36)10(5-31)42-23(22)41)46-25-16(39)15(38)18(44-25)7(33)2-28/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12-,13+,14-,15-,16-,17+,18+,19+,20+,21-,22-,23+,24-,25+,26-/m1/s1