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CHEBI:71585 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-GlcpNAc6S

ChEBI IDCHEBI:71585
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→3)-GlcpNAc6S
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-GlcpNAc6S
DefinitionA linear amino trisaccharide comprising N-acetyl-α-neuraminic acid, β-D-galactose and N-acetyl-6-O-sulfo-D-glucosamine residues linked sequentially (2→3) and (1→3).
Last Modified27 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H42N2O22S
Net Charge0
Average Mass754.670
Monoisotopic Mass754.19499
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](COS(=O)(=O)O)OC(O)[C@@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C25H42N2O22S/c1-7(30)26-13-9(32)3-25(24(39)40,48-20(13)15(34)10(33)4-28)49-21-16(35)11(5-29)46-23(18(21)37)47-19-14(27-8(2)31)22(38)45-12(17(19)36)6-44-50(41,42)43/h9-23,28-29,32-38H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,39,40)(H,41,42,43)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20+,21-,22?,23-,25-/m0/s1
InChIKeyHYRSALCAGYOCTO-DIZWBPKDSA-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)-GlcpNAc6S (CHEBI:71585) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-GlcpNAc6S (CHEBI:71585) is a amino trisaccharide (CHEBI:59266)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-GlcpNAc6S (CHEBI:71585) is a glucosamine oligosaccharide (CHEBI:22485)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-GlcpNAc6S (CHEBI:71585) is a oligosaccharide sulfate (CHEBI:37909)
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-6-O-sulfo-D-glucopyranose
Synonyms  Source
Neu5Acα2-3Galβ1-3(6OSO3)GlcNAcChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-6-O-sulfo-D-glucosamineChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-GlcNAc6SChEBI
Neu5Aca2-3Galb1-3(6S)GlcNAcChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→3)-2-(acetylamino)-2-deoxy-D-glucopyranose, 6-(hydrogen sulfate)ChEBI
Citations