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CHEBI:85946 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-Fucp-(1→3)]-β-D-GlcpNAc

ChEBI IDCHEBI:85946
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-Fucp-(1→3)]-β-D-GlcpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-Fucp-(1->3)]-beta-D-GlcpNAc
Definitionα-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-D-GlcpNAc in which the anomeric configuration of the N-acetyl-D-glucosamine residue at the reducing end is β.
Last Modified27 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC45H75N3O33
Net Charge0
Average Mass1186.083
Monoisotopic Mass1185.42828
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](CO)O[C@@H](O[C@H]5[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]5CO)[C@@H]4O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/4,6,5/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-1-3-4/a3-b1_a4-c1_c3-d1_d4-e1_e3-f2
InChIInChI=1S/C45H75N3O33/c1-11-24(59)29(64)30(65)41(71-11)78-36-23(48-14(4)56)39(68)72-20(10-53)34(36)77-42-31(66)37(26(61)17(7-50)73-42)79-40-22(47-13(3)55)28(63)33(19(9-52)75-40)76-43-32(67)38(27(62)18(8-51)74-43)81-45(44(69)70)5-15(57)21(46-12(2)54)35(80-45)25(60)16(58)6-49/h11,15-43,49-53,57-68H,5-10H2,1-4H3,(H,46,54)(H,47,55)(H,48,56)(H,69,70)/t11-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28+,29+,30-,31+,32+,33+,34+,35+,36+,37-,38-,39+,40-,41-,42-,43-,45-/m0/s1
InChIKeyRKOIBMZGHPWSQV-CASSDZBHSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-Fucp-(1→3)]-β-D-GlcpNAc (CHEBI:85946) is a α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-D-GlcpNAc (CHEBI:71660)
IUPAC Names 
5-acetamido-3,5-dideoxy-D-glycero-α-D-β-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranose
5-acetamido-3,5-dideoxy-D-glycero-α-D-β-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-[α-L-fucopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
NeuAcα2-3Galβ1-4GlcNAcβ1-3Galβ1-4(Fucα1-3)GlcNAcβChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAcChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosamineChEBI
Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4(Fuca1-3)GlcNAcbChEBI
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→3)-O-β-D-galactopyranosyl-(1→4)-O-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-(acetylamino)-2-deoxy-β-D-glucopyranoseChEBI
Manual XrefsDatabases
G22418PVGlyTouCan
G22418PVGlyGen
Citations