alpha-Neup5Ac-(2->6)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc (CHEBI:72009)

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CHEBI:72009 - α-Neup5Ac-(2→6)-β-D-GlcpNAc-(1→4)-D-GlcpNAc

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ChEBI ID	CHEBI:72009
ChEBI Name	α-Neup5Ac-(2→6)-β-D-GlcpNAc-(1→4)-D-GlcpNAc
Stars
ASCII Name	alpha-Neup5Ac-(2->6)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc
Definition	An amino trisaccharide comprising α-sialyl, N-acetyl-β-D-glucosaminyl and N-acetyl-D-glucosamine linked in a (2→6) and (1→4) sequence.
Last Modified	27 June 2023
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C27H45N3O19
Net Charge	0
Average Mass	715.659
Monoisotopic Mass	715.26473
SMILES	[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]3CO)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCS	WURCS=2.0/3,3,2/[a2122h-1x_1-5_2NCC/3=O][a2122h-1b_1-5_2NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b6-c2
InChI	InChI=1S/C27H45N3O19/c1-8(33)28-15-11(36)4-27(26(43)44,49-23(15)18(38)12(37)5-31)45-7-14-19(39)20(40)17(30-10(3)35)25(47-14)48-22-13(6-32)46-24(42)16(21(22)41)29-9(2)34/h11-25,31-32,36-42H,4-7H2,1-3H3,(H,28,33)(H,29,34)(H,30,35)(H,43,44)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24?,25-,27+/m0/s1
InChIKey	LDPRACDVBWJXGZ-OFYLDMBYSA-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→6)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:72009) has role epitope (CHEBI:53000)
	α-Neup5Ac-(2→6)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:72009) is a amino trisaccharide (CHEBI:59266)
	α-Neup5Ac-(2→6)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:72009) is a glucosamine oligosaccharide (CHEBI:22485)

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

Synonyms	Source
Neu5Acα2-6GlcNAcβ1-4GlcNAc	ChEBI
N-acetyl-α-neuraminyl-(2→6)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamine	ChEBI
α-Neu5Ac-(2→6)-β-D-GlcNAc-(1→4)-D-GlcNAc	ChEBI
Neu5Aca2-6GlcNAcb1-4GlcNAc	ChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→6)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucopyranose	ChEBI

Manual Xrefs	Databases
G25824CS	GlyTouCan

Citations