Lactose glycan structure

Cross-references

GlyTouCan : G30816RB

GlyGen : G30816RB

ChEBI : 149055

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Composition

Hex:4 HexNAc:1 dHex:2

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IUPAC

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

GlycoCT

RES
1b:x-dglc-HEX-1:5
2b:a-lgal-HEX-1:5|6:d
3b:b-dgal-HEX-1:5
4b:b-dglc-HEX-1:5
5s:n-acetyl
6b:a-lgal-HEX-1:5|6:d
7b:b-dgal-HEX-1:5
8b:a-dgal-HEX-1:5
LIN
1:1o(3+1)2d
2:1o(4+1)3d
3:3o(3+1)4d
4:4d(2+1)5n
5:4o(3+1)6d
6:4o(4+1)7d
7:7o(3+1)8d

GWS

freeEnd--??1D-Glc,p(--3a1L-Fuc,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[C@H]7[C@H]([C@@H]([C@@H]([C@@H](O7)C)O)O)O)O)O)CO)CO)O)NC(=O)C)O)O)O

InCHI key

MVXZIFWICWFWLY-SXBWCNGISA-N

InCHI

InChI=1S/C44H75NO34/c1-9-18(52)23(57)26(60)40(67-9)76-34-17(45-11(3)51)39(73-16(8-50)32(34)74-43-31(65)36(22(56)14(6-48)71-43)78-42-28(62)25(59)20(54)12(4-46)70-42)77-35-21(55)13(5-47)72-44(30(35)64)75-33-15(7-49)69-38(66)29(63)37(33)79-41-27(61)24(58)19(53)10(2)68-41/h9-10,12-44,46-50,52-66H,4-8H2,1-3H3,(H,45,51)/t9-,10-,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?,39-,40-,41-,42+,43-,44-/m0/s1