Lactose glycan structure

Cross-references

GlyTouCan : G77372RE

GlyGen : G77372RE

ChEBI : 153737

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Composition

Hex:4 HexNAc:1 dHex:1

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IUPAC

Gal(a1-3)Gal(b1-4)[Fuc(a1-3)]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:a-lgal-HEX-1:5|6:d
6b:b-dgal-HEX-1:5
7b:a-dgal-HEX-1:5
LIN
1:1o(4+1)2d
2:2o(3+1)3d
3:3d(2+1)4n
4:3o(3+1)5d
5:3o(4+1)6d
6:6o(3+1)7d

GWS

freeEnd--??1D-Glc,p--4b1D-Gal,p--3b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,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](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)CO)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5O)O[C@@H]6[C@H](OC([C@@H]([C@H]6O)O)O)CO)CO)O)NC(=O)C)O)O)O

InCHI key

VYEFEGNOFNTJDP-QLUIGEDDSA-N

InCHI

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