EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:170006 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→2)-α-D-Manp

ChEBI IDCHEBI:170006
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→2)-α-D-Manp
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp
DefinitionAn amino tetrasaccharide comprising α-N-acetylneuraminyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl and α-D-mannose residues linked sequentially (2→3), (1→3) and (1→2).
Last Modified26 April 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC31H52N2O24
Net Charge0
Average Mass836.747
Monoisotopic Mass836.29100
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](CO)O[C@@H](O[C@H]4[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]4O)[C@@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C31H52N2O24/c1-8(38)32-15-10(40)3-31(30(49)50,56-24(15)17(42)11(41)4-34)57-25-20(45)14(7-37)53-29(22(25)47)54-23-16(33-9(2)39)28(52-13(6-36)19(23)44)55-26-21(46)18(43)12(5-35)51-27(26)48/h10-29,34-37,40-48H,3-7H2,1-2H3,(H,32,38)(H,33,39)(H,49,50)/t10-,11+,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22+,23+,24+,25-,26-,27-,28-,29-,31-/m0/s1
InChIKeyVNXPJJCXGFZPHP-ULOAPSLMSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→2)-α-D-Manp (CHEBI:170006) is a amino tetrasaccharide (CHEBI:59412)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→2)-α-D-Manp (CHEBI:170006) is a glucosamine oligosaccharide (CHEBI:22485)
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-β-D-glucopyranosyl-(1→2)-α-D-mannopyranose
Synonyms  Source
Neu5Aca2-3Galb1-3GlcNAcb1-2ManaChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannoseChEBI
Neu5Acα2-3Galβ1-3GlcNAcβ1-2ManαIUPAC
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-β-D-GlcNAc-(1→2)-α-D-ManChEBI
Citations