Lactose glycan structure

Cross-references

GlyTouCan : G74394BJ

GlyGen : G74394BJ

ChEBI : 153720

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Composition

Hex:3 HexNAc:1

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IUPAC

Gal(b1-3)[GlcNAc(b1-6)]Gal(b1-4)Glc

GlycoCT

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

GWS

freeEnd--??1D-Glc,p--4b1D-Gal,p(--3b1D-Gal,p)--6b1D-GlcNAc,p$MONO,Und,0,0,freeEnd

SMILES

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

InCHI key

BFGVXIPWHNYMBB-WGGFULSJSA-N

InCHI

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