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CHEBI:87450 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc

ChEBI IDCHEBI:87450
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-alpha-D-GalpNAc
DefinitionA linear amino tetrasaccharide comprised of N-acetyl-α-neuraminyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl and N-acetyl-α-D-galactosamine residues linked sequentially (2→3), (1→3) and (1→3).
Last Modified27 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC33H55N3O24
Net Charge0
Average Mass877.800
Monoisotopic Mass877.31755
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](CO)O[C@H](O)[C@@H]4NC(C)=O)[C@@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/4,4,3/[a2112h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a3-b1_b3-c1_c3-d2
InChIInChI=1S/C33H55N3O24/c1-9(41)34-17-12(44)4-33(32(52)53,59-27(17)20(46)13(45)5-37)60-28-23(49)16(8-40)56-31(24(28)50)58-26-19(36-11(3)43)30(55-15(7-39)22(26)48)57-25-18(35-10(2)42)29(51)54-14(6-38)21(25)47/h12-31,37-40,44-51H,4-8H2,1-3H3,(H,34,41)(H,35,42)(H,36,43)(H,52,53)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22+,23-,24+,25+,26+,27+,28-,29-,30-,31-,33-/m0/s1
InChIKeyXUODHOBHGNCZSD-ZQZDFFEHSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc (CHEBI:87450) is a amino tetrasaccharide (CHEBI:59412)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc (CHEBI:87450) is a galactosamine oligosaccharide (CHEBI:22484)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc (CHEBI:87450) 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→3)-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
Neu5Aca2-3Galb1-3GlcNAcb1-3GalNAcaChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-α-D-GalNAcChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosaminyl-(1→3)-N-acetyl-α-D-galactosamineChEBI
Neu5Acα2-3Galβ1-3GlcNAcβ1-3GalNAcαChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-2-(acetylamino)-2-deoxy-α-D-galactopyranoseChEBI
Manual XrefsDatabases
G51162XRGlyTouCan
G51162XRGlyGen
Citations