Lactose glycan structure

Cross-references

GlyTouCan : G90377OF

GlyGen : G90377OF

ChEBI : 154818

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Composition

Hex:2 HexNAc:1 dHex:1

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IUPAC

Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)Glc

GlycoCT

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

GWS

freeEnd--??1D-Glc,p--4b1D-Gal,p(--2a1L-Fuc,p)--3a1D-GalNAc,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]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)O)O)O

InCHI key

DKMKTGYNNHUIAK-CLMJVAKOSA-N

InCHI

InChI=1S/C26H45NO20/c1-6-12(32)16(36)19(39)25(41-6)47-22-21(46-24-11(27-7(2)31)15(35)13(33)8(3-28)43-24)14(34)9(4-29)44-26(22)45-20-10(5-30)42-23(40)18(38)17(20)37/h6,8-26,28-30,32-40H,3-5H2,1-2H3,(H,27,31)/t6-,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18+,19-,20+,21-,22+,23?,24+,25-,26-/m0/s1