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CHEBI:61711 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-D-GlcpNAc

ChEBI IDCHEBI:61711
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-D-GlcpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-D-GlcpNAc
DefinitionA branched amino tetrasaccharide consisting of a sialyl residue, linked (2→3) to a galactosyl residue that in turn is linked (1→4) to a glucosaminyl residue, which is also carrying a fucosyl residue at the 3-position.
Secondary ChEBI IDCHEBI:140916
Last Modified11 September 2023
SubmitterBijay, Steve
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](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](NC(C)=O)C(O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/4,4,3/[a2122h-1x_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/a3-b1_a4-c1_c3-d2
InChIInChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(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
InChIKeyNIGUVXFURDGQKZ-KRAHZTDDSA-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)-[α-L-Fucp-(1→3)]-D-GlcpNAc (CHEBI:61711) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-D-GlcpNAc (CHEBI:61711) is a amino tetrasaccharide (CHEBI:59412)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-D-GlcpNAc (CHEBI:61711) is a glucosamine oligosaccharide (CHEBI:22485)
Incoming Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-D-Galp-yl group (CHEBI:142574) has functional parent α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-D-GlcpNAc (CHEBI:61711)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc (CHEBI:71622) is a α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-D-GlcpNAc (CHEBI:61711)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[α-L-fucopyranosyl-(1→3)]-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
α-Neu5Ac-(2→3)-β-D-Gal (1→4)-[α-L-Fuc-(1→3)]-D-GlcNAcChEBI
sialyl Lewis XChEBI
sialyl Lewis x antigenKEGG GLYCAN
(Gal)1 (GlcNAc)1 (LFuc)1 (Neu5Ac)1KEGG GLYCAN
NeuAcα2-3Galβ1-4(Fucα1-3)GlcNAcChEBI
α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-D-glucosamineChEBI
Manual XrefsDatabases
G00242KEGG GLYCAN
G90387AMGlyTouCan
G90387AMGlyGen
Registry NumbersSources
Reaxys:7162134Reaxys
Citations