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CHEBI:147342 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-α-D-GalpNAc

ChEBI IDCHEBI:147342
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-α-D-GalpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-alpha-D-GalpNAc
DefinitionA branched amino pentasaccharide comprising a linear chain of α-sialyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl and N-acetyl-α-D-galactosaminyl residues, linked (2→3), (1→4) and (1→3) respectively, with an α-L-fucosyl residue linked to the N-acetyl-β-D-glucosaminyl residue.
Last Modified18 November 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC39H65N3O28
Net Charge0
Average Mass1023.942
Monoisotopic Mass1023.37546
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]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]4NC(C)=O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/5,5,4/[a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-5/a3-b1_b3-c1_b4-d1_d3-e2
InChIInChI=1S/C39H65N3O28/c1-10-22(52)26(56)27(57)36(62-10)68-32-21(42-13(4)49)35(67-30-20(41-12(3)48)34(59)63-16(7-44)24(30)54)65-18(9-46)29(32)66-37-28(58)33(25(55)17(8-45)64-37)70-39(38(60)61)5-14(50)19(40-11(2)47)31(69-39)23(53)15(51)6-43/h10,14-37,43-46,50-59H,5-9H2,1-4H3,(H,40,47)(H,41,48)(H,42,49)(H,60,61)/t10-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24-,25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35-,36-,37-,39-/m0/s1
InChIKeyOVEDXEYGRNHVJN-VBHHXNSBSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-α-D-GalpNAc (CHEBI:147342) has functional parent α-L-Fucp-(1→3)-[β-D-Galp(1→4)]-β-D-GlcpNAc-(1→3)-α-D-GalpNAc (CHEBI:146687)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-α-D-GalpNAc (CHEBI:147342) is a amino pentasaccharide (CHEBI:59268)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
Neu5Aca2-3Galb1-4(Fuca1-3)GlcNAcb1-3GalNAcaChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosaminyl-(1→3)-N-acetyl-α-D-galactosamineChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc-(1→3)-α-D-GalNAcChEBI
Neu5Acα2-3Galβ1-4(Fucα1-3)GlcNAcβ1-3GalNAcαChEBI
Manual XrefsDatabases
G90436CBGlyTouCan
G90436CBGlyGen
Citations