Lactose glycan structure

Cross-references

GlyTouCan : G70115XG

GlyGen : G70115XG

ChEBI : 62520

---

Composition

Hex:3 HexNAc:1 dHex:2

---

IUPAC

Fuc(a1-4)[Gal(b1-3)]GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]Glc

GlycoCT

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

GWS

freeEnd--??1D-Glc,p(--3a1L-Fuc,p)--4b1D-Gal,p--3b1D-GlcNAc,p(--3b1D-Gal,p)--4a1L-Fuc,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](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](OC([C@@H]([C@H]5O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)O)O)CO)CO)O)CO)O)O)O

InCHI key

DMYPRRDPOMGEAK-XWDFSUOISA-N

InCHI

InChI=1S/C38H65NO29/c1-8-16(45)20(49)23(52)35(58-8)64-28-14(7-43)63-34(15(39-10(3)44)30(28)66-37-25(54)22(51)18(47)11(4-40)61-37)67-31-19(48)12(5-41)62-38(27(31)56)65-29-13(6-42)60-33(57)26(55)32(29)68-36-24(53)21(50)17(46)9(2)59-36/h8-9,11-38,40-43,45-57H,4-7H2,1-3H3,(H,39,44)/t8-,9-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28+,29+,30+,31-,32+,33?,34-,35-,36-,37-,38-/m0/s1