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CHEBI:71561 - β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-GlcpNAc

ChEBI IDCHEBI:71561
ChEBI Nameβ-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-GlcpNAc
Stars
ASCII Namebeta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc
DefinitionA branched amino tetrasaccharide comprised of a trisaccharide chain of N-acetyl-α-neuraminic acid, β-D-galactose and N-acetyl-β-D-glucosamine residues linked sequentially (2→3) and (1→4), to the galactose residue of which is also linked (1→4) an N-acetyl-β-L-galactosamine residue.
Last Modified25 June 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC33H55N3O24
Net Charge0
Average Mass877.800
Monoisotopic Mass877.31755
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/4,4,3/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4/a4-b1_b3-c2_b4-d1
InChIInChI=1S/C33H55N3O24/c1-9(41)34-17-12(44)4-33(32(52)53,59-27(17)20(46)13(45)5-37)60-28-24(50)31(57-25-15(7-39)54-29(51)18(23(25)49)35-10(2)42)56-16(8-40)26(28)58-30-19(36-11(3)43)22(48)21(47)14(6-38)55-30/h12-31,37-40,44-51H,4-8H2,1-3H3,(H,34,41)(H,35,42)(H,36,43)(H,52,53)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22+,23+,24+,25+,26-,27+,28+,29+,30-,31-,33-/m0/s1
InChIKeyDTYDBWNYKHOHEM-RTBMYYQPSA-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-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71561) has role epitope (CHEBI:53000)
β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71561) is a amino tetrasaccharide (CHEBI:59412)
β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71561) is a galactosamine oligosaccharide (CHEBI:22484)
β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71561) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)]-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
N-acetyl-α-neuraminyl-(2→3)-[N-acetyl-β-D-galactosaminyl-(1→4)]-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamineChEBI
N-acetyl-β-D-galactosaminyl-(1→4)-[N-acetyl-α-neuraminyl-(2→3)]-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamineChEBI
O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1→4)-O-[5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)]-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranoseChEBI
GalNAcb1-4(Neu5Aca2-3)Galb1-4GlcNAcbChEBI
GalNAcβ1-4(Neu5Acα2-3)Galβ1-4GlcNAcβChEBI
Neu5Acα2-3(GalNAcβ1-4)Galβ1-4GlcNAcβChEBI
Manual XrefsDatabases
G41052GCGlyGen
G41052GCGlyTouCan
Citations