Lactose glycan structure

Cross-references

GlyTouCan : G73717AG

GlyGen : G73717AG

ChEBI : 153551

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Composition

Hex:3 HexNAc:2

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IUPAC

GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)Glc

GlycoCT

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

GWS

freeEnd--??1D-Glc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p$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]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)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)O)O)CO)CO)O)CO)CO)O)CO)O)O

InCHI key

DCAVQKLDEURSGU-VDLJRJOZSA-N

InCHI

InChI=1S/C34H58N2O26/c1-8(42)35-15-20(47)17(44)10(3-37)55-31(15)61-28-18(45)11(4-38)56-33(24(28)51)59-26-14(7-41)58-32(16(21(26)48)36-9(2)43)62-29-19(46)12(5-39)57-34(25(29)52)60-27-13(6-40)54-30(53)23(50)22(27)49/h10-34,37-41,44-53H,3-7H2,1-2H3,(H,35,42)(H,36,43)/t10-,11-,12-,13-,14-,15-,16-,17-,18+,19+,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30?,31+,32+,33+,34+/m1/s1