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CHEBI:146265 - N-(3-{[α-D-GalN-(1→4)-α-D-GalN-(1→4)-α-D-GalN-(1→4)-α-D-GalN-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide

ChEBI IDCHEBI:146265
ChEBI NameN-(3-{[α-D-GalN-(1→4)-α-D-GalN-(1→4)-α-D-GalN-(1→4)-α-D-GalN-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide
Stars
ASCII NameN-(3-{[alpha-D-GalN-(1->4)-alpha-D-GalN-(1->4)-alpha-D-GalN-(1->4)-alpha-D-GalN-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide
DefinitionA tetrasaccharide derivative in which α-D-galactosaminyl-(1→4)-α-D-galactosaminyl-(1→4)-α-D-galactosaminyl-(1→4)-α-D-galactosamine is linked glycosidically to biotin via a (21-oxo-3,6,9,12,15,18-hexaoxa-22-azapentacosan-1-yl)amino spacer. One of a set of synthesised biotinylated oligo-α-(1→4)-D-galactosamines comprising from two to six monosaccharide units, along with their N-acetylated derivatives (PMID:31913631), aimed at analysing the specificity of the antibody responses to a complex exopolysaccharide galactosaminogalactan found in Aspergillus fumigatus, the most important airborne human fungal pathogen in industrialized countries.
Last Modified6 March 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC52H96N8O26S
Net Charge0
Average Mass1281.437
Monoisotopic Mass1280.61565
SMILES[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)NCCCO[C@H]3O[C@H](CO)[C@H](O[C@H]4O[C@H](CO)[C@H](O[C@H]5O[C@H](CO)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6N)[C@H](O)[C@H]5N)[C@H](O)[C@H]4N)[C@H](O)[C@H]3N)[C@@]1([H])NC(=O)N2
InChIInChI=1S/C52H96N8O26S/c53-35-41(68)40(67)28(22-61)80-49(35)84-46-30(24-63)82-51(37(55)43(46)70)86-47-31(25-64)83-50(38(56)44(47)71)85-45-29(23-62)81-48(36(54)42(45)69)79-9-3-7-57-34(66)6-10-73-12-14-75-16-18-77-20-21-78-19-17-76-15-13-74-11-8-58-33(65)5-2-1-4-32-39-27(26-87-32)59-52(72)60-39/h27-32,35-51,61-64,67-71H,1-26,53-56H2,(H,57,66)(H,58,65)(H2,59,60,72)/t27-,28+,29+,30+,31+,32-,35+,36+,37+,38+,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49+,50+,51+/m0/s1
InChIKeyCQJPNZCQTPJTFS-JQNIOYDPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-(3-{[α-D-GalN-(1→4)-α-D-GalN-(1→4)-α-D-GalN-(1→4)-α-D-GalN-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide (CHEBI:146265) is a biotins (CHEBI:51570)
N-(3-{[α-D-GalN-(1→4)-α-D-GalN-(1→4)-α-D-GalN-(1→4)-α-D-GalN-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide (CHEBI:146265) is a tetrasaccharide derivative (CHEBI:63567)
IUPAC Name 
N-(3-{[2-amino-2-deoxy-α-D-galactopyranosyl-(1→4)-2-amino-2-deoxy-α-D-galactopyranosyl-(1→4)-2-amino-2-deoxy-α-D-galactopyranosyl-(1→4)-2-amino-2-deoxy-α-D-galactopyranosyl]oxy}propyl)-23-oxo-27-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10,13,16,19-hexaoxa-22-azaheptacosan-1-amide
Synonyms  Source
3-(21-biotinamino-4,7,10,13,16,19-hexaoxagenicaminoamino)-propyl 2-amino-2-deoxy-α-D-galactopyranosyl-(1→4)-2-amino-2-deoxy-α-D-galactopyranosyl-(1→4)-2-amino-2-deoxy-α-D-galactopyranosyl-(1→4)-2-amino-2-deoxy-α-D-galactopyranosideChEBI
(3aS,4S,6aR)-N-[25-[[O-2-amino-2-deoxy-α-D-galactopyranosyl-(1→4)-O-2-amino-2-deoxy-α-D-galactopyranosyl-(1→4)-O-2-amino-2-deoxy-α-D-galactopyranosyl-(1→4)-2-amino-2-deoxy-α-D-galactopyranosyl]oxy]-21-oxo-3,6,9,12,15,18-hexaoxa-22-azapentacos-1-yl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamideChEBI
N-(3-{[α-D-galactosaminyl-(1→4)-α-D-galactosaminyl-(1→4)-α-D-galactosaminyl-(1→4)-α-D-galactosaminyl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxaheptacosan-1-amideChEBI
Citations