alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-[beta-D-GlcpNAc-(1->6)]-alpha-D-GalpNAc (CHEBI:180487)

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CHEBI:180487 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[β-D-GlcpNAc-(1→6)]-α-D-GalpNAc

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ChEBI ID	CHEBI:180487
ChEBI Name	α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[β-D-GlcpNAc-(1→6)]-α-D-GalpNAc
Stars
ASCII Name	alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-[beta-D-GlcpNAc-(1->6)]-alpha-D-GalpNAc
Definition	A branched amino tetrasaccharide comprising a linear trisaccharide chain of α-N-acetylneuraminyl, β-D-galactosyl and N-acetyl-α-D-galactosamine residues linked sequentially (2→3) and (1→3), to the N-acetyl-α-D-galactosamine residue at the reducing end of which is also linked (1→6) an N-acetyl-β-D-glucosamine residue.
Last Modified	20 September 2021
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C33H55N3O24
Net Charge	0
Average Mass	877.800
Monoisotopic Mass	877.31755
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](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)O[C@H](O)[C@@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChI	InChI=1S/C33H55N3O24/c1-9(40)34-17-12(43)4-33(32(52)53,59-27(17)20(45)13(44)5-37)60-28-22(47)15(7-39)57-31(25(28)50)58-26-19(36-11(3)42)29(51)55-16(23(26)48)8-54-30-18(35-10(2)41)24(49)21(46)14(6-38)56-30/h12-31,37-39,43-51H,4-8H2,1-3H3,(H,34,40)(H,35,41)(H,36,42)(H,52,53)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24+,25+,26+,27+,28-,29-,30+,31-,33-/m0/s1
InChIKey	HQAKEQYJAQRGME-FBDVBGJUSA-N

ChEBI Ontology

Outgoing Relation(s)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[β-D-GlcpNAc-(1→6)]-α-D-GalpNAc (CHEBI:180487) is a amino tetrasaccharide (CHEBI:59412)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[β-D-GlcpNAc-(1→6)]-α-D-GalpNAc (CHEBI:180487) is a galactosamine oligosaccharide (CHEBI:22484)
	α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[β-D-GlcpNAc-(1→6)]-α-D-GalpNAc (CHEBI:180487) is a glucosamine oligosaccharide (CHEBI:22485)

IUPAC Name
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-α-D-galactopyranose

Synonyms	Source
GlcNAcβ1-6(Neu5Acα2-3Galβ1-3)GalNAcα	IUPAC
GlcNAcb1-6(Neu5Aca2-3Galb1-3)GalNAca	ChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)-[N-acetyl-β-D-glucosaminyl-(1→6)]-N-acetyl-α-D-galactosamine	ChEBI
N-acetyl-β-D-glucosaminyl-(1→6)-[N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)]-N-acetyl-α-D-galactosamine	ChEBI
β-D-GlcpNAc-(1→6)-[α-Neup5Ac-(2→3)-β-D-Galp-(1→3)]-α-D-GalpNAc	ChEBI

Citations