Core 2 glycan structure

Cross-references

GlyTouCan : G37653KL

GlyGen : G37653KL

ChEBI : 150134

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Composition

Hex:2 HexNAc:3 dHex:1

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IUPAC

Fuc(a1-4)GlcNAc(b1-6)Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]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:a-lgal-HEX-1:5|6:d
7b:b-dglc-HEX-1:5
8s:n-acetyl
9b:b-dgal-HEX-1:5
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(6+1)4d
4:4d(2+1)5n
5:4o(4+1)6d
6:1o(6+1)7d
7:7d(2+1)8n
8:7o(4+1)9d

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--6b1D-GlcNAc,p--4a1L-Fuc,p)--6b1D-GlcNAc,p--4b1D-Gal,p$MONO,Und,0,0,freeEnd

Glycam

LFucpa1-4DGlcpNAcb1-6DGalpb1-3[DGalpb1-4DGlcpNAcb1-6]DGalpNAca1-OH

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)NC(=O)C)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)O[C@@H]4[C@H]([C@H](O[C@@H]([C@@H]4O)CO[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)O)O)NC(=O)C)O)NC(=O)C)O)O)O)CO)O)O)O

InCHI key

PEAQNJYCLSMNJU-PIWTZQGLSA-N

InCHI

InChI=1S/C42H71N3O30/c1-10-22(52)28(58)31(61)40(67-10)73-34-15(6-47)70-38(19(26(34)56)43-11(2)49)65-8-17-24(54)30(60)33(63)42(72-17)75-36-21(45-13(4)51)37(64)68-18(25(36)55)9-66-39-20(44-12(3)50)27(57)35(16(7-48)71-39)74-41-32(62)29(59)23(53)14(5-46)69-41/h10,14-42,46-48,52-64H,5-9H2,1-4H3,(H,43,49)(H,44,50)(H,45,51)/t10-,14+,15+,16+,17+,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-/m0/s1