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CHEBI:71605 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc

ChEBI IDCHEBI:71605
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc
DefinitionAn amino pentasaccharide consisting of a linear sequence of N-acetyl-α-neuraminyl, β-D-galactosyl, N-acetyl-β-DD-glucosaminyl, β-D-galactosyl and N-acetyl-β-DD-glucosamine residues linked respectively (2→3), (1→3), (1→3) and (1→3).
Last Modified20 April 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC39H65N3O29
Net Charge0
Average Mass1039.941
Monoisotopic Mass1039.37037
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](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]5NC(C)=O)[C@@H]4O)[C@@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/3,5,4/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-1-2-3/a3-b1_b3-c1_c3-d1_d3-e2
InChIInChI=1S/C39H65N3O29/c1-10(48)40-19-13(51)4-39(38(61)62,70-31(19)22(53)14(52)5-43)71-33-26(57)18(9-47)66-37(28(33)59)68-30-21(42-12(3)50)35(64-16(7-45)24(30)55)69-32-25(56)17(8-46)65-36(27(32)58)67-29-20(41-11(2)49)34(60)63-15(6-44)23(29)54/h13-37,43-47,51-60H,4-9H2,1-3H3,(H,40,48)(H,41,49)(H,42,50)(H,61,62)/t13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31+,32-,33-,34+,35-,36-,37-,39-/m0/s1
InChIKeyUPEDMSXTWJLMCA-IYKAHFPJSA-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→3)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc (CHEBI:71605) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc (CHEBI:71605) is a amino pentasaccharide (CHEBI:59268)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→3)-β-D-GlcpNAc (CHEBI:71605) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
Neu5Acα2-3Galβ1-3GlcNAcβ1-3Galβ1-3GlcNAcβChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→3)-β-D-GlcNAcChEBI
N-acetyl-α-neuraminyl-(1→3)-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosamineChEBI
Neu5Aca2-3Galb1-3GlcNAcb1-3Galb1-3GlcNAcbChEBI
Manual XrefsDatabases
G11998FOGlyTouCan
G11998FOGlyGen
Citations