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CHEBI:62681 - α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-L-Fuc-(1→4)]-β-D-GlcNAc

ChEBI IDCHEBI:62681
ChEBI Nameα-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-L-Fuc-(1→4)]-β-D-GlcNAc
Stars
ASCII Namealpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc
DefinitionA branched amino tetrasaccharide consisting of a sialyl residue, linked (2→3) to a galactosyl residue that in turn is linked (1→3) to a glucosaminyl residue at the reducing end, which is also carrying a fucosyl residue at the 4-position.
Last Modified27 June 2023
SubmitterSteve
DownloadsMolfile
FormulaC31H52N2O23
Net Charge0
Average Mass820.748
Monoisotopic Mass820.29609
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](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/4,4,3/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-2-3-4/a3-b1_a4-d1_b3-c2
InChIInChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)53-23-14(7-36)51-27(47)16(33-10(3)38)25(23)54-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8-,11-,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24+,25+,26-,27+,28-,29-,31-/m0/s1
InChIKeyXBSNXOHQOTUENA-UQTBNESHSA-N
Roles Classification
Biological Roles:
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.
tumour antigen  An antigenic substance produced in tumour cells, which triggers an immune response in the host.
ChEBI Ontology
Outgoing Relation(s)
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-L-Fuc-(1→4)]-β-D-GlcNAc (CHEBI:62681) has role epitope (CHEBI:53000)
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-L-Fuc-(1→4)]-β-D-GlcNAc (CHEBI:62681) is a α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-L-Fuc-(1→4)]-D-GlcNAc (CHEBI:61793)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-[α-L-fucopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-L-Fucp-(1→4)]-β-D-GlcpNAcChEBI
NeuAcα2→3Galβ1→3[Fucα1→4]GlcNAcβChEBI
α-Neu5Ac-(2→3)-β-Gal-(1→3)-[α-Fuc-(1→4)]-β-GlcNAcChEBI
N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl-(1→3)-[α-L-fucosyl-(1→4)]-N-acetyl-β-D-glucosamineChEBI
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-[6-deoxy-α-L-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranoseIUPAC
Neu5Acα2-3Galβ1-3(Fucα1-4)GlcNAcβChEBI
Manual XrefsDatabases
G00053MOGlyTouCan
G00053MOGlyGen
Registry NumbersSources
Reaxys:7510446Reaxys
Citations