CHEBI:146271 - N-(3-{[α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-α-D-GalNAc-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide

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ChEBI Name N-(3-{[α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-α-D-GalNAc-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide ChEBI ID CHEBI:146271 ChEBI ASCII Name N-(3-{[alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide Definition A trisaccharide derivative in which N-acetyl-α-D-galactosaminyl-(1→4)-N-acetyl-α-D-galactosaminyl-(1→4)-N-acetyl-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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C52H91N7O25S Net Charge 0 Average Mass 1246.380 Monoisotopic Mass 1245.57853 InChI InChI=1S/C52H91N7O25S/c1-29(63)55-40-44(69)43(68)33(25-60)80-50(40)83-48-35(27-62)82-51(42(46(48)71)57-31(3)65)84-47-34(26-61)81-49(41(45(47)70)56-30(2)64)79-12-6-10-53-38(67)9-13-73-15-17-75-19-21-77-23-24-78-22-20-76-18-16-74-14-11-54-37(66)8-5-4-7-36-39-32(28-85-36)58-52(72)59-39/h32-36,39-51,60-62,68-71H,4-28H2,1-3H3,(H,53,67)(H,54,66)(H,55,63)(H,56,64)(H,57,65)(H2,58,59,72)/t32-,33+,34+,35+,36-,39-,40+,41+,42+,43-,44+,45+,46+,47-,48-,49-,50+,51+/m0/s1 InChIKey JJQBVPYDSQKTFY-RGMHKOGASA-N SMILES [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(C)=O)O)NC(C)=O)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)OCCCNC(CCOCCOCCOCCOCCOCCOCCNC(CCCC[C@H]4[C@]5(NC(N[C@]5(CS4)[H])=O)[H])=O)=O)NC(C)=O)O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing N-(3-{[α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-α-D-GalNAc-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide (CHEBI:146271) is a biotins (CHEBI:51570) N-(3-{[α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-α-D-GalNAc-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide (CHEBI:146271) is a trisaccharide derivative (CHEBI:63571) IUPAC Name N-(3-{[2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→4)-2-acetamido-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 Sources (3aS,4S,6aR)-N-[25-[[O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1→4)-2-(acetylamino)-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-pentanamide ChEBI 3-(21-biotinamino-4,7,10,13,16,19-hexaoxagenicaminoamino)-propyl 2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranoside ChEBI N-(3-{[N-acetyl-α-D-galactosaminyl-(1→4)-N-acetyl-α-D-galactosaminyl-(1→4)-N-acetyl-α-D-galactosaminyl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxaheptacosan-1-amide ChEBI Citation Type Source 31913631 PubMed citation Europe PMC Last Modified 06 March 2020