Lactose glycan structure

Cross-references

GlyTouCan : G69801MT

GlyGen : G69801MT

ChEBI : 153358

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Composition

Hex:2 NeuAc:1 Ac:1

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IUPAC

Neu4,5Ac2(a2-3)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:acetyl
5s:n-acetyl
LIN
1:1o(4+1)2d
2:2o(3+2)3d
3:3o(4+1)4n
4:3d(5+1)5n

GWS

freeEnd--??1D-Glc,p--4b1D-Gal,p--3a2D-NeuAc,p--4?1Ac$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)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)OC(=O)C

InCHI key

BACLTUCCYMODAV-WEDXUYLESA-N

InCHI

InChI=1S/C25H41NO20/c1-7(30)26-13-10(41-8(2)31)3-25(24(39)40,45-20(13)14(33)9(32)4-27)46-21-15(34)11(5-28)43-23(18(21)37)44-19-12(6-29)42-22(38)17(36)16(19)35/h9-23,27-29,32-38H,3-6H2,1-2H3,(H,26,30)(H,39,40)/t9-,10+,11-,12-,13-,14-,15+,16-,17-,18-,19-,20-,21+,22?,23+,25+/m1/s1