Lactose glycan structure

No image
Free / Lactose (avg mass : 633.558)

3D structure from GLYCAM

Cross-references

GlyTouCan : G69893KP

GlyGen : G69893KP

ChEBI : 153372

Glycologue : [S6L4G]


Composition

Hex:2 NeuAc:1


IUPAC

NeuAc(a2-6)Gal(b1-4)Glc

GlycoCT

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

GWS

freeEnd--??1D-Glc,p--4b1D-Gal,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[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)O)O)O)O

InCHI key

TYALNJQZQRNQNQ-PVURBZDVSA-N

InCHI

InChI=1S/C23H39NO19/c1-6(27)24-11-7(28)2-23(22(37)38,43-19(11)12(30)8(29)3-25)39-5-10-13(31)14(32)17(35)21(41-10)42-18-9(4-26)40-20(36)16(34)15(18)33/h7-21,25-26,28-36H,2-5H2,1H3,(H,24,27)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18+,19+,20?,21-,23+/m0/s1