Core 4 glycan structure

Cross-references

GlyTouCan : G98940EW

GlyGen : G98940EW

ChEBI : -

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Composition

Hex:1 HexNAc:4 dHex:1

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IUPAC

Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-3)[GlcNAc(b1-6)]GalNAc

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--2a1L-Fuc,p)--3a1D-GalNAc,p)--6b1D-GlcNAc,p$MONO,Und,0,0,freeEnd

Glycam

DGalpNAca1-3[LFucpa1-2]DGalpb1-4DGlcpNAcb1-3[DGlcpNAcb1-6]DGalpNAca1-OH

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[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)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O)NC(=O)C)CO)CO)O)O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)NC(=O)C)O)O)O

InCHI key

CZFHBLJENLVDLN-DEBMYEOJSA-N

InCHI

InChI=1S/C44H74N4O30/c1-11-25(57)33(65)34(66)43(69-11)78-38-37(77-41-22(46-13(3)54)31(63)27(59)17(7-50)72-41)28(60)18(8-51)73-44(38)75-35-19(9-52)74-42(23(32(35)64)47-14(4)55)76-36-24(48-15(5)56)39(67)70-20(29(36)61)10-68-40-21(45-12(2)53)30(62)26(58)16(6-49)71-40/h11,16-44,49-52,57-67H,6-10H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)/t11-,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-,43-,44-/m0/s1