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CHEBI:68619 - β-D-Galp-(1→3)-[α-Neup5Ac-(2→6)]-α-D-GlcpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Glcp

ChEBI IDCHEBI:68619
ChEBI Nameβ-D-Galp-(1→3)-[α-Neup5Ac-(2→6)]-α-D-GlcpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Glcp
Stars
ASCII Namebeta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->6)]-alpha-D-GlcpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp
DefinitionA branched amino pentasaccharide comprising a linear sequence of α-D-galactose, N-acetyl-β-D-glucosamine, β-D-galactosamine and β-D-glucosamine residues linked (1→3), (1→4) and (1→4), with an N-acetyl-α-neuraminic acid residue linked (2→6) to the N-acetyl-β-D-glucosaminyl residue.
Last Modified31 May 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC37H62N2O29
Net Charge0
Average Mass998.888
Monoisotopic Mass998.34382
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)[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=2.0/4,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-4/a4-b1_b4-c1_c3-d1_c6-e2
InChIInChI=1S/C37H62N2O29/c1-9(44)38-17-11(46)3-37(36(58)59,68-31(17)19(48)12(47)4-40)60-8-16-21(50)30(67-34-26(55)22(51)20(49)13(5-41)62-34)18(39-10(2)45)33(64-16)65-29-15(7-43)63-35(27(56)24(29)53)66-28-14(6-42)61-32(57)25(54)23(28)52/h11-35,40-43,46-57H,3-8H2,1-2H3,(H,38,44)(H,39,45)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,37+/m0/s1
InChIKeyTZCGZHVIEHDVLW-QVBRSFCTSA-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)-[α-Neup5Ac-(2→6)]-α-D-GlcpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:68619) has role epitope (CHEBI:53000)
β-D-Galp-(1→3)-[α-Neup5Ac-(2→6)]-α-D-GlcpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:68619) is a amino pentasaccharide (CHEBI:59268)
β-D-Galp-(1→3)-[α-Neup5Ac-(2→6)]-α-D-GlcpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:68619) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose
Synonyms  Source
β-D-Gal-(1→3)-[α-Neu5Ac-(2→6)]-α-D-GlcNAc-(1→4)-β-D-Gal-(1→4)-β-D-GlcChEBI
N-acetyl-α-neuraminosyl-(2→6)-[β-D-galactosyl-(1→3)]-N-acetyl-β-D-glucosaminyl-(1→4)-β-D-galactosyl-(1→4)-β-D-glucoseChEBI
Galβ1-3(Neu5Acα2-6)GlcNAcβ1-4Galβ1-4GlcβChEBI
Neu5Aca2-6(Galb1-3)GlcNAcb1-4Galb1-4GlcbChEBI
Neu5Acα2-6(Galβ1-3)GlcNAcβ1-4Galβ1-4GlcβChEBI
β-D-glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→6)-O-[β-D-galactopyranosyl-(1→3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-β-D-galactopyranosyl-(1→4)-ChEBI
Manual XrefsDatabases
G70573KHGlyTouCan
G70573KHGlyGen
Citations