CHEBI:87761 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp

ChEBI IDCHEBI:87761
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp
DefinitionA linear amino tetrasaccharide consisting of N-acetyl-α-neuraminyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl and β-D-mannose residues linked sequentially (2→3), (1→4) and (1→2).
Last Modified12 February 2024
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](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]4O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/4,4,3/[a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a2-b1_b4-c1_c3-d2
InChIInChI=1S/C31H52N2O24/c1-8(38)32-15-10(40)3-31(30(49)50,56-24(15)17(42)11(41)4-34)57-25-19(44)13(6-36)52-29(22(25)47)54-23-14(7-37)53-28(16(20(23)45)33-9(2)39)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
InChIKeyBJOHFALIQGGDQK-BSEFTXDESA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp (CHEBI:87761) is a amino tetrasaccharide (CHEBI:59412)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp (CHEBI:87761) 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→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranose
Synonyms  Source
Neu5Aca2-3Galb1-4GlcNAcb1-2ManaChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-ManChEBI
Neu5Acα2-3Galβ1-4GlcNAcβ1-2ManαChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannoseChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranoseChEBI
Manual XrefsDatabases
G59126YUGlyTouCan
G59126YUGlyGen
Citations