alpha-Neup5Ac-(2->3)-beta-D-Galp6S-(1->4)-beta-D-GlcpNAc (CHEBI:72543)

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CHEBI:72543 - α-Neup5Ac-(2→3)-β-D-Galp6S-(1→4)-β-D-GlcpNAc

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ChEBI ID	CHEBI:72543
ChEBI Name	α-Neup5Ac-(2→3)-β-D-Galp6S-(1→4)-β-D-GlcpNAc
Stars
ASCII Name	alpha-Neup5Ac-(2->3)-beta-D-Galp6S-(1->4)-beta-D-GlcpNAc
Definition	A linear amino trisaccharide consisting of an α-sialyl residue linked (2→3) to an O-6-sulfated β-D-galactosyl residue that in turn is linked (1→4) to an N-acetyl-β-D-glucosaminyl residue at the reducing end.
Last Modified	20 April 2024
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C25H42N2O22S
Net Charge	0
Average Mass	754.670
Monoisotopic Mass	754.19499
SMILES	[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](COS(=O)(=O)O)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChI	InChI=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)12(6-44-50(41,42)43)46-23(18(21)37)47-19-11(5-29)45-22(38)14(17(19)36)27-8(2)31/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
InChIKey	MGLYJSMNCSPPKI-SDJLXEQRSA-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-Galp6S-(1→4)-β-D-GlcpNAc (CHEBI:72543) has role epitope (CHEBI:53000)
	α-Neup5Ac-(2→3)-β-D-Galp6S-(1→4)-β-D-GlcpNAc (CHEBI:72543) is a amino trisaccharide (CHEBI:59266)
	α-Neup5Ac-(2→3)-β-D-Galp6S-(1→4)-β-D-GlcpNAc (CHEBI:72543) is a glucosamine oligosaccharide (CHEBI:22485)
	α-Neup5Ac-(2→3)-β-D-Galp6S-(1→4)-β-D-GlcpNAc (CHEBI:72543) is a oligosaccharide sulfate (CHEBI:37909)

IUPAC Name
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-6-O-sulfo-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose

Synonyms	Source
α-Neu5Ac-(2→3)-β-D-Galp6S-(1→4)-β-D-GlcNAc	ChEBI
N-acetyl-α-neuraminyl-(2→3)-6-O-sulfo-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine	ChEBI
NeuAcα2-3[6OSO3]Galβ1-4GlcNAcβ	ChEBI
Neu5Acα2-3(6S)Galβ1-4GlcNAcβ	ChEBI
Neu5Aca2-3(6S)Galb1-4GlcNAcb	ChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-6-O-sulfo-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranose	ChEBI

Citations