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CHEBI:65105 - α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-β-Neup5Ac

ChEBI IDCHEBI:65105
ChEBI Nameα-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-β-Neup5Ac
Stars
ASCII Namealpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-beta-Neup5Ac
Definitionα-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-Neup5Ac in which the sialyl residue at the reducing end has β anomeric configuration.
Last Modified27 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC33H53N3O25
Net Charge0
Average Mass891.783
Monoisotopic Mass891.29681
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H](CO)[C@@H](O)[C@]2([H])O[C@@](O[C@H](CO)[C@@H](O)[C@]3([H])O[C@](O)(C(=O)O)C[C@H](O)[C@H]3NC(C)=O)(C(=O)O)C[C@H](O)[C@H]2NC(C)=O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C33H53N3O25/c1-10(40)34-19-13(43)4-31(56,28(50)51)59-26(19)23(48)17(8-38)57-33(30(54)55)6-15(45)21(36-12(3)42)27(61-33)24(49)18(9-39)58-32(29(52)53)5-14(44)20(35-11(2)41)25(60-32)22(47)16(46)7-37/h13-27,37-39,43-49,56H,4-9H2,1-3H3,(H,34,40)(H,35,41)(H,36,42)(H,50,51)(H,52,53)(H,54,55)/t13-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,31-,32+,33+/m0/s1
InChIKeyZFOIZUZRBOTSMP-GHUXNPPVSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-β-Neup5Ac (CHEBI:65105) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-β-Neup5Ac (CHEBI:65105) is a α-Neup5Ac-(2→8)-α-Neup5Ac-(2→8)-Neup5Ac (CHEBI:72327)
IUPAC Names 
(6R)-5-acetamido-6-[(1S,2R)-2-({(6R)-5-acetamido-6-[(1S,2R)-2-({(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-β-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-α-L-threo-hex-2-ulopyranosonic acid
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→8)-5-acetamido-3,5-dideoxy-D-glycero-β-D-galacto-non-2-ulopyranosonic acid
Synonyms  Source
α-Neu5Ac-(2→8)-α-Neu5Ac-(2→8)-β-Neu5AcChEBI
Neu5Acα2-8Neu5Acα2-8Neu5AcβChEBI
Neu5Aca2-8Neu5Aca2-8Neu5AcbChEBI
Sia3ChEBI
N-acetyl-α-neuraminyl-(2→8)-N-acetyl-α-neuraminyl-(2→8)-N-acetyl-β-neuraminic acidChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→8)-O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→8)-5-(acetylamino)-3,5-dideoxy-D-glycero-β-D-galacto-2-nonulopyranosonic acidChEBI
Citations