Lactose glycan structure

Cross-references

GlyTouCan : G32685CP

GlyGen : G32685CP

ChEBI : 149282

Glycologue : [S3L4[f3]G]

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Composition

Hex:2 dHex:1 NeuAc:1

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IUPAC

NeuAc(a2-3)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:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
5s:n-acetyl
LIN
1:1o(3+1)2d
2:1o(4+1)3d
3:3o(3+2)4d
4:4d(5+1)5n

GWS

freeEnd--??1D-Glc,p(--3a1L-Fuc,p)--4b1D-Gal,p--3a2D-NeuAc,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](OC([C@@H]2O)O)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O

InCHI key

LTIQZTOACJJKGQ-VLJHSQLWSA-N

InCHI

InChI=1S/C29H49NO23/c1-7-14(37)17(40)18(41)26(47-7)51-24-19(42)25(44)48-12(6-33)21(24)50-27-20(43)23(16(39)11(5-32)49-27)53-29(28(45)46)3-9(35)13(30-8(2)34)22(52-29)15(38)10(36)4-31/h7,9-27,31-33,35-44H,3-6H2,1-2H3,(H,30,34)(H,45,46)/t7-,9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22+,23-,24+,25?,26-,27-,29-/m0/s1