Lactose glycan structure

Cross-references

GlyTouCan : G13910LY

GlyGen : G13910LY

ChEBI : 147515

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Composition

Hex:2 HexNAc:1 dHex:2

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IUPAC

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

GWS

freeEnd--??1D-Glc,p(--3a1L-Fuc,p)--4b1D-Gal,p(--2a1L-Fuc,p)--3a1D-GalNAc,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@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)O)O)O

InCHI key

HZJAKILPGGYGFW-NLMCABFBSA-N

InCHI

InChI=1S/C32H55NO24/c1-7-14(38)19(43)21(45)30(49-7)56-26-23(47)28(48)51-12(6-36)24(26)54-32-27(57-31-22(46)20(44)15(39)8(2)50-31)25(17(41)11(5-35)53-32)55-29-13(33-9(3)37)18(42)16(40)10(4-34)52-29/h7-8,10-32,34-36,38-48H,4-6H2,1-3H3,(H,33,37)/t7-,8-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,22-,23+,24+,25-,26+,27+,28?,29+,30-,31-,32-/m0/s1