Core 1 glycan structure

Cross-references

GlyTouCan : G39011WZ

GlyGen : G39011WZ

ChEBI : 150411

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Composition

Hex:4 HexNAc:4

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IUPAC

Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-3)GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:b-dglc-HEX-1:5
5s:n-acetyl
6b:b-dgal-HEX-1:5
7b:b-dglc-HEX-1:5
8s:n-acetyl
9b:b-dgal-HEX-1:5
10b:b-dglc-HEX-1:5
11s:n-acetyl
12b:b-dgal-HEX-1:5
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(3+1)4d
4:4d(2+1)5n
5:4o(4+1)6d
6:6o(3+1)7d
7:7d(2+1)8n
8:7o(4+1)9d
9:9o(3+1)10d
10:10d(2+1)11n
11:10o(4+1)12d

GWS

freeEnd--?a1D-GalNAc,p--3b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p$MONO,Und,0,0,freeEnd

Glycam

DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-3DGalpb1-3DGalpNAca1-OH

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)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)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O[C@@H]7[C@H]([C@H](O[C@@H]([C@@H]7O)CO)O)NC(=O)C)CO)O)CO)CO)O)CO)CO)O)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O

InCHI key

LRTLBPZKVHNDEI-KOVGKPGBSA-N

InCHI

InChI=1S/C56H94N4O41/c1-13(69)57-25-34(78)42(95-53-38(82)37(81)29(73)17(5-61)88-53)22(10-66)92-50(25)99-46-31(75)19(7-63)89-54(39(46)83)96-43-23(11-67)93-51(26(35(43)79)58-14(2)70)100-47-32(76)20(8-64)90-55(40(47)84)97-44-24(12-68)94-52(27(36(44)80)59-15(3)71)101-48-33(77)21(9-65)91-56(41(48)85)98-45-28(60-16(4)72)49(86)87-18(6-62)30(45)74/h17-56,61-68,73-86H,5-12H2,1-4H3,(H,57,69)(H,58,70)(H,59,71)(H,60,72)/t17-,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+,56+/m1/s1