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CHEBI:71603 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-α-D-GalpNAc6S

ChEBI IDCHEBI:71603
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→3)-α-D-GalpNAc6S
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-alpha-D-GalpNAc6S
DefinitionA linear amino trisaccharide comprising N-acetyl-α-neuraminic acid, β-D-galactose and N-acetyl-6-O-sulfo-α-D-galactosamine residues linked sequentially (2→3) and (1→3).
Last Modified25 June 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H42N2O22S
Net Charge0
Average Mass754.670
Monoisotopic Mass754.19499
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](COS(=O)(=O)O)O[C@H](O)[C@@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/3,3,2/[a2112h-1a_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a3-b1_b3-c2
InChIInChI=1S/C25H42N2O22S/c1-7(30)26-13-9(32)3-25(24(39)40,48-20(13)15(34)10(33)4-28)49-21-16(35)11(5-29)46-23(18(21)37)47-19-14(27-8(2)31)22(38)45-12(17(19)36)6-44-50(41,42)43/h9-23,28-29,32-38H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,39,40)(H,41,42,43)/t9-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,22-,23-,25-/m0/s1
InChIKeyHYRSALCAGYOCTO-HGZOWQQDSA-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→3)-β-D-Galp-(1→3)-α-D-GalpNAc6S (CHEBI:71603) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-α-D-GalpNAc6S (CHEBI:71603) is a amino trisaccharide (CHEBI:59266)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-α-D-GalpNAc6S (CHEBI:71603) is a galactosamine oligosaccharide (CHEBI:22484)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-α-D-GalpNAc6S (CHEBI:71603) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-6-O-sulfo-α-D-galactopyranose
Synonyms  Source
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-α-D-GalNAc6SChEBI
α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-6-O-sulfo-α-D-galactosamineChEBI
Neu5Acα2-3Galβ1-3[6OSO3]GalNAcαChEBI
Neu5Aca2-3Galb1-3(6S)GalNAcaChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→3)-2-(acetylamino)-2-deoxy-α-D-galactopyranose, 6-(hydrogen sulfate)ChEBI
α-D-galactopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→3)-2-(acetylamino)-2-deoxy-, 6-(hydrogen sulfate)ChEBI
Manual XrefsDatabases
G92252GSGlyTouCan
G92252GSGlyGen
Citations