Lactose glycan structure

Cross-references

GlyTouCan : G45570JA

GlyGen : G45570JA

ChEBI : 151011

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Composition

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

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IUPAC

Gal(b1-3)GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]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:a-lgal-HEX-1:5|6:d
12b:b-dgal-HEX-1:5
13b:b-dglc-HEX-1:5
14s:n-acetyl
15b: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(3+1)11d
11:9o(4+1)12d
12:12o(3+1)13d
13:13d(2+1)14n
14:13o(3+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(--3a1L-Fuc,p)--4b1D-Gal,p--3b1D-GlcNAc,p--3b1D-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[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)C)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)NC(=O)C)O)CO)O)O)O

InCHI key

YCCICVKKELTZMV-HTXVMKSMSA-N

InCHI

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