Lactose glycan structure

Cross-references

GlyTouCan : G54585VU

GlyGen : G54585VU

ChEBI : 151144

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Composition

Hex:4 HexNAc:1 dHex:1

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IUPAC

Fuc(a1-2)[Gal(a1-3)]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:a-lgal-HEX-1:5|6:d
7b:a-dgal-HEX-1:5
LIN
1:1o(4+1)2d
2:2o(3+1)3d
3:3d(2+1)4n
4:3o(4+1)5d
5:5o(2+1)6d
6:5o(3+1)7d

GWS

freeEnd--??1D-Glc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p(--2a1L-Fuc,p)--3a1D-Gal,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](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)O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O

InCHI key

LYEWWBMBOCREOE-PBPMLOFZSA-N

InCHI

InChI=1S/C38H65NO30/c1-8-16(46)21(51)25(55)35(59-8)69-32-31(68-36-26(56)22(52)17(47)10(3-40)61-36)19(49)12(5-42)63-38(32)66-28-14(7-44)64-34(15(20(28)50)39-9(2)45)67-30-18(48)11(4-41)62-37(27(30)57)65-29-13(6-43)60-33(58)24(54)23(29)53/h8,10-38,40-44,46-58H,3-7H2,1-2H3,(H,39,45)/t8-,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20+,21+,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32+,33?,34-,35-,36+,37-,38-/m0/s1