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CHEBI:67002 - β-D-Galp-(1→3)-[β-Neup5Ac-(2→6)]-α-D-GalpNAc

ChEBI IDCHEBI:67002
ChEBI Nameβ-D-Galp-(1→3)-[β-Neup5Ac-(2→6)]-α-D-GalpNAc
Stars
ASCII Namebeta-D-Galp-(1->3)-[beta-Neup5Ac-(2->6)]-alpha-D-GalpNAc
DefinitionA branched amino trisaccharide that consists of N-acetyl-α-D-galactosamine having a β-D-galactosyl residue attached at the 3-position and a β-N-acetylneuraminosyl residue attached at the 6-position.
Last Modified31 May 2024
SubmitterSteve
DownloadsMolfile
FormulaC25H42N2O19
Net Charge0
Average Mass674.606
Monoisotopic Mass674.23818
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@](OC[C@H]2O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/3,3,2/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2b_2-6_5*NCC/3=O]/1-2-3/a3-b1_a6-c2
InChIInChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-17(36)20(14(22(39)43-12)27-8(2)31)45-23-19(38)18(37)16(35)11(5-29)44-23/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17-,18-,19+,20+,21+,22-,23-,25-/m0/s1
InChIKeyWGMXQFVVADPLGR-IXQOGYPSSA-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)
β-D-Galp-(1→3)-[β-Neup5Ac-(2→6)]-α-D-GalpNAc (CHEBI:67002) has role epitope (CHEBI:53000)
β-D-Galp-(1→3)-[β-Neup5Ac-(2→6)]-α-D-GalpNAc (CHEBI:67002) is a amino trisaccharide (CHEBI:59266)
β-D-Galp-(1→3)-[β-Neup5Ac-(2→6)]-α-D-GalpNAc (CHEBI:67002) is a galactosamine oligosaccharide (CHEBI:22484)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-β-D-galacto-non-2-ulopyranonosyl-(2→6)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
β-D-galactosyl-(1→3)-[β-N-acetylneuraminosyl-(2→6)]-N-acetyl-α-D-galactosamineChEBI
β-N-acetylneuraminosyl-(2→6)-[β-D-galactosyl-(1→3)]-N-acetyl-α-D-galactosamineChEBI
β-Neu5Ac-(2→6)-[β-D-Gal-(1→3)]-α-D-GalNAcChEBI
β-D-Gal-(1→3)-[β-Neu5Ac-(2→6)]-α-D-GalNAcChEBI
β-Neup5Ac-(2→6)-[β-D-Galp-(1→3)]-α-D-GalpNAcChEBI
Galβ1→3(Neu5Acβ2→6)GalNAcαChEBI
Manual XrefsDatabases
G64050LHGlyTouCan
G64050LHGlyGen
Citations