CHEBI:145908 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc ChEBI ID CHEBI:145908 ChEBI ASCII Name alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-[beta-D-Galp-(1->3)]-alpha-D-GalpNAc Definition A branched amino pentasaccharide comprising α-N-acetylneuraminyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl and N-acetyl-α-D-galactosamine residues linked sequentially (2→3), (1→4) and (1→6), to the galactosamine residue of which is also linked (1→3) a β-D-galactosyl residue. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C39H65N3O29 Net Charge 0 Average Mass 1039.941 Monoisotopic Mass 1039.37037 InChI InChI=1S/C39H65N3O29/c1-10(47)40-19-13(50)4-39(38(61)62,70-32(19)22(52)14(51)5-43)71-33-24(54)16(7-45)66-37(29(33)59)68-30-17(8-46)67-35(20(26(30)56)41-11(2)48)63-9-18-25(55)31(21(34(60)64-18)42-12(3)49)69-36-28(58)27(57)23(53)15(6-44)65-36/h13-37,43-46,50-60H,4-9H2,1-3H3,(H,40,47)(H,41,48)(H,42,49)(H,61,62)/t13-,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 InChIKey UIRDKPIOTPRKAG-RKARHFKQSA-N SMILES [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@]5(O[C@@]([C@@H]([C@H](C5)O)NC(C)=O)([H])[C@@H]([C@@H](CO)O)O)C(=O)O)O)O)NC(C)=O)O)NC(C)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc (CHEBI:145908) is a acetamides (CHEBI:22160) α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc (CHEBI:145908) is a amino pentasaccharide (CHEBI:59268) α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)-[β-D-Galp-(1→3)]-α-D-GalpNAc (CHEBI:145908) is a monocarboxylic acid (CHEBI:25384) IUPAC Names 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→6)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-α-D-galactopyranose NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-3)]a-GalNAc Synonyms Sources 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonic acid-(2→3)-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→6)-[β-D-galacto-hexopyranosyl-(1→3)]-2-acetamido-2-deoxy-α-D-galacto-hexopyranose IUPAC α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)-[β-D-galactosyl]-N-acetyl-α-D-galactosamine ChEBI N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→6)-[β-D-galactosyl]-N-acetyl-α-D-galactosamine ChEBI Neu5Aca2-3Galb1-4GlcNAcb1-6(Galb1-3)GalNAca ChEBI Neu5Acα2-3Galβ1-4GlcNAcβ1-6(Galβ1-3)GalNAcα ChEBI WURCS=2.0/4,5,4/[a2112h-1a_1-5_2*NCC/3=O][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/a3-b1_a6-c1_c4-d1_d3-e2 GlyTouCan Manual Xrefs Databases G00222 KEGG GLYCAN G11457RF GlyTouCan G11457RF GlyGen View more database links Citation Type Source 31537530 PubMed citation Europe PMC Last Modified 24 November 2020