alpha-N-acetylneuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine (CHEBI:17725)

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CHEBI:17725 - α-N-acetylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine

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ChEBI ID	CHEBI:17725
ChEBI Name	α-N-acetylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine
Stars
ASCII Name	alpha-N-acetylneuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine
Definition	An amino trisaccharide consisting of an N-acetyl-α-neuraminyl residue attached to the galactose residue of N-acetyllactosamine via an α-(2→6)-linkage.
Secondary ChEBI IDs	CHEBI:10312, CHEBI:12300, CHEBI:22434
Last Modified	27 June 2023
Downloads	Molfile

Formula	C25H42N2O19
Net Charge	0
Average Mass	674.606
Monoisotopic Mass	674.23818
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@H](O)O[C@@H]3CO)[C@H](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-1b_1-5_2NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5NCC/3=O]/1-2-3/a4-b1_b6-c2
InChI	InChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22+,23-,25+/m0/s1
InChIKey	RPSBVJXBTXEJJG-LURNZOHQSA-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-N-acetylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:17725) has role epitope (CHEBI:53000)
	α-N-acetylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:17725) is a amino trisaccharide (CHEBI:59266)
	α-N-acetylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:17725) is a glucosamine oligosaccharide (CHEBI:22485)
	α-N-acetylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:17725) is conjugate acid of α-N-acetylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine(1−) (CHEBI:60040)
Incoming Relation(s)
Incoming Relation(s)	α-N-acetylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine(1−) (CHEBI:60040) is conjugate base of α-N-acetylneuraminyl-(2→6)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine (CHEBI:17725)

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

Synonyms	Source
alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine	KEGG COMPOUND
alpha-N-acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine	ChEBI
α-NeupNAc-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc	ChEBI
α-NeuNAc-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc	ChEBI
Neuac-lact	ChemIDplus
Neuacalpha2,6GalNAcbeta1,4GlcNAc	ChemIDplus

Manual Xrefs	Databases
C04886	KEGG COMPOUND
HMDB0001081	HMDB
ALPHA-N-ACETYLNEURAMINYL-26-BETA	MetaCyc
G73578JC	GlyTouCan
G73578JC	GlyGen

Registry Numbers	Sources
Beilstein:5721087	Beilstein
CAS:64364-50-7	ChemIDplus

Citations