Lactose glycan structure

Cross-references

GlyTouCan : G40103VO

GlyGen : G40103VO

ChEBI : 150051

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Composition

Hex:5 HexNAc:3 dHex:2 NeuAc:1

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IUPAC

Fuc(a1-4)[Gal(b1-3)]GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[NeuAc(a2-3)Gal(b1-3)[Fuc(a1-4)]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: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
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:b-dgal-HEX-1:5
15b:a-lgal-HEX-1:5|6:d
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
11:11o(3+1)12d
12:12d(2+1)13n
13:12o(3+1)14d
14:12o(4+1)15d

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--3b1D-GlcNAc,p(--3b1D-Gal,p)--4a1L-Fuc,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)O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)OC[C@@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)O[C@@H]7[C@H](OC([C@@H]([C@H]7O)O)O)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)CO)CO)O)CO)O)O)O

InCHI key

YQXLHFVLYGARSY-YPAHSHMJSA-N

InCHI

InChI=1S/C77H128N4O57/c1-17-37(96)45(104)50(109)70(119-17)131-58-30(14-88)126-68(35(80-21(5)92)61(58)133-72-52(111)47(106)40(99)25(9-83)122-72)135-63-41(100)26(10-84)123-73(53(63)112)129-56-29(13-87)125-67(34(44(56)103)79-20(4)91)118-16-32-43(102)64(54(113)74(128-32)130-57-28(12-86)121-66(115)49(108)48(57)107)136-69-36(81-22(6)93)62(59(31(15-89)127-69)132-71-51(110)46(105)38(97)18(2)120-71)134-75-55(114)65(42(101)27(11-85)124-75)138-77(76(116)117)7-23(94)33(78-19(3)90)60(137-77)39(98)24(95)8-82/h17-18,23-75,82-89,94-115H,7-16H2,1-6H3,(H,78,90)(H,79,91)(H,80,92)(H,81,93)(H,116,117)/t17-,18-,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+,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66?,67+,68-,69-,70-,71-,72-,73-,74-,75-,77-/m0/s1