alpha-Neup5Gc-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcNAcp (CHEBI:72466)

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CHEBI:72466 - α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-β-D-GlcNAcp

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ChEBI ID	CHEBI:72466
ChEBI Name	α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-β-D-GlcNAcp
Stars
ASCII Name	alpha-Neup5Gc-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcNAcp
Definition	A linear amino trisaccharide comprising an α-N-glycoloylneuraminyl residue (2→3)-linked to a β-D-galactosyl residue, which is in turn linked (1→4) to N-acetyl-β-D-glucosamine.
Last Modified	27 June 2023
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C25H42N2O20
Net Charge	0
Average Mass	690.605
Monoisotopic Mass	690.23309
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)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO
WURCS	WURCS=2.0/3,3,2/[a2122h-1b_1-5_2NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5NCCO/3=O]/1-2-3/a4-b1_b3-c2
InChI	InChI=1S/C25H42N2O20/c1-7(32)26-14-17(38)19(11(5-30)43-22(14)40)45-23-18(39)21(16(37)10(4-29)44-23)47-25(24(41)42)2-8(33)13(27-12(35)6-31)20(46-25)15(36)9(34)3-28/h8-11,13-23,28-31,33-34,36-40H,2-6H2,1H3,(H,26,32)(H,27,35)(H,41,42)/t8-,9+,10+,11+,13+,14+,15+,16-,17+,18+,19+,20+,21-,22+,23-,25-/m0/s1
InChIKey	UCLLFEHQSRYVHM-FLPCITOWSA-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-Neup5Gc-(2→3)-β-D-Galp-(1→4)-β-D-GlcNAcp (CHEBI:72466) has role epitope (CHEBI:53000)
	α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-β-D-GlcNAcp (CHEBI:72466) is a amino trisaccharide (CHEBI:59266)
	α-Neup5Gc-(2→3)-β-D-Galp-(1→4)-β-D-GlcNAcp (CHEBI:72466) is a glucosamine oligosaccharide (CHEBI:22485)

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

Synonyms	Source
α-N-glycoloylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine	ChEBI
Neu5Gcα2-3Galβ1-4GlcNAcβ	ChEBI
α-Neu5Gc-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc	ChEBI
Neu5Gca2-3Galb1-4GlcNAcb	ChEBI
O-3,5-dideoxy-5-[(2-hydroxyacetyl)amino]-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranose	ChEBI

Manual Xrefs	Databases
G08169IN	GlyTouCan

Citations