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CHEBI:72545 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc

ChEBI IDCHEBI:72545
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-D-GalpNAc
DefinitionA linear amino tetrasaccharide comprising α-sialyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl and N-acetyl-D-galactosamine residues in a (2→3), (1→4) and (1→3) sequence.
Last Modified18 November 2020
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](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)OC(O)[C@@H]4NC(C)=O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/4,4,3/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a3-b1_b4-c1_c3-d2
InChIInChI=1S/C33H55N3O24/c1-9(41)34-17-12(44)4-33(32(52)53,59-27(17)20(46)13(45)5-37)60-28-22(48)15(7-39)55-31(24(28)50)57-25-16(8-40)56-30(18(23(25)49)35-10(2)42)58-26-19(36-11(3)43)29(51)54-14(6-38)21(26)47/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
InChIKeyCZMMTWLCOJJHAT-NOZVAABBSA-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-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc (CHEBI:72545) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc (CHEBI:72545) is a amino tetrasaccharide (CHEBI:59412)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc (CHEBI:72545) is a galactosamine oligosaccharide (CHEBI:22484)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc (CHEBI:72545) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Names 
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-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-D-galactopyranose
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)GalNAc
Synonyms  Source
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-D-GalNAcChEBI
NeuAcα2-3Galβ1-4GlcNAcβ1-3GalNAcChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-D-galactosamineChEBI
Neu5Aca2-3Galb1-4GlcNAcb1-3GalNAcChEBI
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonic acid-(2→3)-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→3)-2-acetamido-2-deoxy-D-galacto-hexopyranoseIUPAC
Citations