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CHEBI:146268 - N-(3-{[α-D-GalN-(1→4)-α-D-GalN-(1→4)-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:146268
ChEBI NameN-(3-{[α-D-GalN-(1→4)-α-D-GalN-(1→4)-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-(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 hexasaccharide derivative in which α-D-galactosaminyl-(1→4)-α-D-galactosaminyl-(1→4)-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
FormulaC64H118N10O34S
Net Charge0
Average Mass1603.751
Monoisotopic Mass1602.75326
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]7O[C@H](CO)[C@H](O[C@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8N)[C@H](O)[C@H]7N)[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/C64H118N10O34S/c65-39-47(84)46(83)30(22-75)98-59(39)104-54-32(24-77)100-61(41(67)49(54)86)106-56-34(26-79)102-63(43(69)51(56)88)108-57-35(27-80)103-62(44(70)52(57)89)107-55-33(25-78)101-60(42(68)50(55)87)105-53-31(23-76)99-58(40(66)48(53)85)97-9-3-7-71-38(82)6-10-91-12-14-93-16-18-95-20-21-96-19-17-94-15-13-92-11-8-72-37(81)5-2-1-4-36-45-29(28-109-36)73-64(90)74-45/h29-36,39-63,75-80,83-89H,1-28,65-70H2,(H,71,82)(H,72,81)(H2,73,74,90)/t29-,30+,31+,32+,33+,34+,35+,36-,39+,40+,41+,42+,43+,44+,45-,46-,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57-,58-,59+,60+,61+,62+,63+/m0/s1
InChIKeyGZLMELQOAMERAR-YWSBASDZSA-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-(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:146268) 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-(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:146268) is a hexasaccharide derivative (CHEBI:63565)
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-(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
(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)-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-(1→4)-α-D-galactosaminyl-(1→4)-α-D-galactosaminyl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxaheptacosan-1-amideChEBI
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-galactopyranosyl-(1→4)-2-amino-2-deoxy-α-D-galactopyranosyl-(1→4)-2-amino-2-deoxy-α-D-galactopyranosideChEBI
Citations