Lactose glycan structure

Cross-references

GlyTouCan : G42296CW

GlyGen : G42296CW

ChEBI : 150685

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Composition

Hex:4 HexNAc:1 dHex:2

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IUPAC

Fuc(a1-2)[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-lgal-HEX-1:5|6:d
8b: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(2+1)7d
7:6o(3+1)8d

GWS

freeEnd--??1D-Glc,p--4b1D-Gal,p--3b1D-GlcNAc,p(--3a1L-Fuc,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](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[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)CO)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O[C@@H]7[C@H](OC([C@@H]([C@H]7O)O)O)CO)CO)O)NC(=O)C)O)O)O

InCHI key

OSTOBNVERUOOHC-DOOYLLGWSA-N

InCHI

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