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CHEBI:150468 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Glcp

ChEBI IDCHEBI:150468
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Glcp
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp
DefinitionAn amino pentasaccharide comprising α-N-acetylneuraminyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl, β-D-galactosyl and β-D-glucose residues linked sequentially (2→3), (1→3), (1→4) and (1→4).
Last Modified26 April 2021
SubmitterGareth Owen
DownloadsMolfile
FormulaC37H62N2O29
Net Charge0
Average Mass998.888
Monoisotopic Mass998.34382
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](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)O[C@@H]4CO)[C@@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/4,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-4/a4-b1_b4-c1_c3-d1_d3-e2
InChIInChI=1S/C37H62N2O29/c1-9(45)38-17-11(47)3-37(36(58)59,67-30(17)19(49)12(48)4-40)68-31-21(51)14(6-42)62-35(26(31)56)66-29-18(39-10(2)46)33(61-13(5-41)20(29)50)64-28-16(8-44)63-34(25(55)23(28)53)65-27-15(7-43)60-32(57)24(54)22(27)52/h11-35,40-44,47-57H,3-8H2,1-2H3,(H,38,45)(H,39,46)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21-,22+,23+,24+,25+,26+,27+,28-,29+,30+,31-,32+,33-,34-,35-,37-/m0/s1
InChIKeyARFQJPSHMFTBIY-IVBIICNGSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:150468) is a amino pentasaccharide (CHEBI:59268)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:150468) is a glucosamine oligosaccharide (CHEBI:22485)
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-β-D-GlcpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:150468) is a neuraminic acids (CHEBI:25508)
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→4)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2→3)-beta-D-galacto-hexopyranosyl-(1→3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1→4)-beta-D-galacto-hexopyranosyl-(1→4)-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-4)Gal(b1-4)b-GlcSUBMITTER
(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acidChEBI
Neu5Acα2-3Galβ1-3GlcNAcβ1-4Galβ1-4GlcβIUPAC
Neu5Aca2-3Galb1-3GlcNAcb1-4Galb1-4GlcbChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-β-D-GlcNAc-(1→4)-β-D-Gal-(1→4)-β-D-GlcChEBI
Manual XrefsDatabases
G41722LNGlyTouCan
G41722LNGlyGen
Citations