Lactose glycan structure

Cross-references

GlyTouCan : G23333KI

GlyGen : G23333KI

ChEBI : 148614

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Composition

Hex:4 HexNAc:2 dHex:1 NeuAc:1

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IUPAC

NeuAc(a2-3)Gal(b1-3)[Fuc(a1-4)]GlcNAc(b1-3)[Gal(b1-4)GlcNAc(b1-6)]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:b-dgal-HEX-1:5
6b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
7s:n-acetyl
8b:a-lgal-HEX-1:5|6:d
9b:b-dglc-HEX-1:5
10s:n-acetyl
11b:b-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
5:5o(3+2)6d
6:6d(5+1)7n
7:3o(4+1)8d
8:2o(6+1)9d
9:9d(2+1)10n
10:9o(4+1)11d

GWS

freeEnd--??1D-Glc,p--4b1D-Gal,p(--3b1D-GlcNAc,p(--3b1D-Gal,p--3a2D-NeuAc,p)--4a1L-Fuc,p)--6b1D-GlcNAc,p--4b1D-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](O[C@H]([C@@H]([C@H]2O[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)NC(=O)C)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)O)O)CO)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)NC(=O)C)O)CO)O)O)O

InCHI key

BIWJJPKGZNADNL-HAFFYROHSA-N

InCHI

InChI=1S/C57H95N3O43/c1-13-28(72)34(78)38(82)52(90-13)99-44-23(11-66)95-51(27(60-16(4)69)46(44)100-55-41(85)48(31(75)20(8-63)93-55)103-57(56(87)88)5-17(70)25(58-14(2)67)45(102-57)29(73)18(71)6-61)101-47-32(76)24(96-54(40(47)84)98-43-21(9-64)91-49(86)37(81)36(43)80)12-89-50-26(59-15(3)68)33(77)42(22(10-65)94-50)97-53-39(83)35(79)30(74)19(7-62)92-53/h13,17-55,61-66,70-86H,5-12H2,1-4H3,(H,58,67)(H,59,68)(H,60,69)(H,87,88)/t13-,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+,45+,46+,47-,48-,49?,50+,51-,52-,53-,54-,55-,57-/m0/s1