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CHEBI:146276 - N-(3-{[α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-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 IDCHEBI:146276
ChEBI NameN-(3-{[α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-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
Stars
ASCII NameN-(3-{[alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->4)-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
DefinitionA hexasaccharide derivative in which N-acetyl-α-D-galactosaminyl-(1→4)-N-acetyl-α-D-galactosaminyl-(1→4)-N-acetyl-α-D-galactosaminyl-(1→4)-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.
Last Modified6 March 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC76H130N10O40S
Net Charge0
Average Mass1855.973
Monoisotopic Mass1854.81665
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]8NC(C)=O)[C@H](O)[C@H]7NC(C)=O)[C@H](O)[C@H]6NC(C)=O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@@]1([H])NC(=O)N2
InChIInChI=1S/C76H130N10O40S/c1-35(93)79-52-59(102)58(101)42(28-87)116-71(52)122-66-44(30-89)118-73(54(61(66)104)81-37(3)95)124-68-46(32-91)120-75(56(63(68)106)83-39(5)97)126-69-47(33-92)121-74(57(64(69)107)84-40(6)98)125-67-45(31-90)119-72(55(62(67)105)82-38(4)96)123-65-43(29-88)117-70(53(60(65)103)80-36(2)94)115-15-9-13-77-50(100)12-16-109-18-20-111-22-24-113-26-27-114-25-23-112-21-19-110-17-14-78-49(99)11-8-7-10-48-51-41(34-127-48)85-76(108)86-51/h41-48,51-75,87-92,101-107H,7-34H2,1-6H3,(H,77,100)(H,78,99)(H,79,93)(H,80,94)(H,81,95)(H,82,96)(H,83,97)(H,84,98)(H2,85,86,108)/t41-,42+,43+,44+,45+,46+,47+,48-,51-,52+,53+,54+,55+,56+,57+,58-,59+,60+,61+,62+,63+,64+,65-,66-,67-,68-,69-,70-,71+,72+,73+,74+,75+/m0/s1
InChIKeyUWQVYQHHFXYMAM-IGIRUCCHSA-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-GalNAc-(1→4)-α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-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:146276) is a biotins (CHEBI:51570)
N-(3-{[α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-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:146276) is a hexasaccharide derivative (CHEBI:63565)
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-(1→4)-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  Source
(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)-O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1→4)-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-pentanamideChEBI
N-(3-{[N-acetyl-α-D-galactosaminyl-(1→4)-N-acetyl-α-D-galactosaminyl-(1→4)-N-acetyl-α-D-galactosaminyl-(1→4)-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-amideChEBI
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-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosideChEBI