Lactose glycan structure

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Free / Lactose (avg mass : 650.5855)

3D structure from GLYCAM

Cross-references

GlyTouCan : G31457FJ

GlyGen : G31457FJ

ChEBI : 149185


Composition

Hex:3 dHex:1


IUPAC

Fuc(a1-2)[Gal(a1-3)]Gal(b1-4)Glc

GlycoCT

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

GWS

freeEnd--??1D-Glc,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](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O

InCHI key

CASKAPBFMUHBRB-KVGSGYEASA-N

InCHI

InChI=1S/C24H42O20/c1-5-9(28)12(31)16(35)22(38-5)44-20-19(43-23-17(36)13(32)10(29)6(2-25)40-23)11(30)7(3-26)41-24(20)42-18-8(4-27)39-21(37)15(34)14(18)33/h5-37H,2-4H2,1H3/t5-,6+,7+,8+,9+,10-,11-,12+,13-,14+,15+,16-,17+,18+,19-,20+,21?,22-,23+,24-/m0/s1