Lactose glycan structure

Cross-references

GlyTouCan : G98419BR

GlyGen : G98419BR

ChEBI : 155447

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Composition

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

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IUPAC

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
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

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$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)NC(=O)C)O)CO)O)O)O

InCHI key

QDNUALRMIZBLQP-XIBPMSGXSA-N

InCHI

InChI=1S/C71H118N4O53/c1-16-35(90)43(98)47(102)65(111-16)122-54-29(14-83)118-64(34(75-20(5)87)57(54)124-69-51(106)60(40(95)26(11-80)116-69)128-71(70(108)109)6-21(88)31(72-17(2)84)56(127-71)36(91)22(89)7-76)126-59-41(96)30(119-68(50(59)105)121-53-27(12-81)112-61(107)46(101)45(53)100)15-110-62-32(73-18(3)85)42(97)52(28(13-82)117-62)120-67-49(104)58(39(94)25(10-79)115-67)125-63-33(74-19(4)86)55(38(93)24(9-78)113-63)123-66-48(103)44(99)37(92)23(8-77)114-66/h16,21-69,76-83,88-107H,6-15H2,1-5H3,(H,72,84)(H,73,85)(H,74,86)(H,75,87)(H,108,109)/t16-,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+,56+,57+,58-,59-,60-,61?,62+,63-,64-,65-,66-,67-,68-,69-,71-/m0/s1