Core 2 glycan structure

Cross-references

GlyTouCan : G54706BB

GlyGen : G54706BB

ChEBI : 151168

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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(b1-6)[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
3:1o(6+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)--6b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p--4b1D-Gal,p$MONO,Und,0,0,freeEnd

Glycam

DGalpb1-3[DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-3DGalpb1-4DGlcpNAcb1-6]DGalpNAca1-OH

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[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)O)NC(=O)C)O)O

InCHI key

PTZYSXRTPLXLML-JMKGSJIBSA-N

InCHI

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