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CHEBI:68429 - α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-{α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-DMan-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc

ChEBI IDCHEBI:68429
ChEBI Nameα-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-{α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-DMan-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc
Stars
ASCII Namealpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-{alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-DMan-(1->6)}-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc
DefinitionAn amino oligosaccharide that is a branched tridecasaccharide in which two α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man pentasaccharide units are linked (1→3) and (1→6) to the mannoose residue of a β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc trisaccharide chain.
Last Modified13 April 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC90H150N6O64
Net Charge0
Average Mass2340.168
Monoisotopic Mass2338.86673
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/6,13,12/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-1-2-3-1-4-5-6-3-1-4-5-6/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_e4-f1_f2-g1_f3-h1_i2-j1_j4-k1_k2-l1_k3-m1
InChIInChI=1S/C90H150N6O64/c1-20-45(113)60(128)64(132)84(137-20)159-76-72(155-79-40(92-23(4)108)54(122)47(115)28(9-97)140-79)51(119)32(13-101)144-89(76)152-69-36(17-105)147-82(43(58(69)126)95-26(7)111)157-74-62(130)49(117)30(11-99)142-87(74)136-19-38-53(121)71(66(134)86(149-38)151-68-35(16-104)146-81(42(57(68)125)94-25(6)110)150-67-34(15-103)139-78(135)39(56(67)124)91-22(3)107)154-88-75(63(131)50(118)31(12-100)143-88)158-83-44(96-27(8)112)59(127)70(37(18-106)148-83)153-90-77(160-85-65(133)61(129)46(114)21(2)138-85)73(52(120)33(14-102)145-90)156-80-41(93-24(5)109)55(123)48(116)29(10-98)141-80/h20-21,28-90,97-106,113-135H,9-19H2,1-8H3,(H,91,107)(H,92,108)(H,93,109)(H,94,110)(H,95,111)(H,96,112)/t20-,21-,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+,70+,71-,72-,73-,74-,75-,76+,77+,78+,79+,80+,81-,82-,83-,84-,85-,86-,87-,88+,89-,90-/m0/s1
InChIKeyBMTWEURUYFEPQG-HVGJSZABSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-{α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-DMan-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc (CHEBI:68429) has role epitope (CHEBI:53000)
α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-{α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-DMan-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc (CHEBI:68429) is a amino oligosaccharide (CHEBI:22483)
α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-{α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-DMan-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc (CHEBI:68429) is a galactosamine oligosaccharide (CHEBI:22484)
α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-{α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-DMan-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc (CHEBI:68429) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-[6-deoxy-α-L-galactopyranosyl-(1→2)]-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)-[2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-[6-deoxy-α-L-galactopyranosyl-(1→2)]-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
α-D-GalpNAc-(1→3)-[α-L-Fucp-(1→2)]-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-{α-D-GalpNAc-(1→3)-[α-L-Fucp-(1→2)]-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-DManp-(1→6)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-DGlcpNAcJCBN
N-acetyl-α-D-galactosaminyl-(1→3)-[α-L-fucosyl-(1→2)]-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→3)-{N-acetyl-α-D-galactosaminyl-(1→3)-[α-L-fucosyl-(1→2)]-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→6)}-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamineChEBI
GalNAcα1-3(Fucα1-2)Galβ1-4GlcNAcβ1-2Manα1-3[GalNAcα1-3(Fucα1-2)Galβ1-4GlcNAcβ1-2Manα1-6]Manβ1-4GlcNAcβ1-4GlcNAcβChEBI
GalNAca1-3(Fuca1-2)Galb1-4GlcNAcb1-2Mana1-6(GalNAca1-3(Fuca1-2)Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcbChEBI
Manual XrefsDatabases
G26298FTGlyTouCan
Citations