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CHEBI:71558 - α-L-Fucp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp6S-(1→4)]-β-D-GlcpNAc

ChEBI IDCHEBI:71558
ChEBI Nameα-L-Fucp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp6S-(1→4)]-β-D-GlcpNAc
Stars
ASCII Namealpha-L-Fucp-(1->3)-[alpha-Neup5Ac-(2->3)-beta-D-Galp6S-(1->4)]-beta-D-GlcpNAc
DefinitionA branched amino tetrasaccharide comprised of a trisaccharide chain of N-acetyl-α-neuraminic acid, 6-O-sulfo-β-D-glactose and N-acetyl-β-D-glucosamine residues linked sequentially (2→3) and (1→4), to the GlcNAC residue of which is also linked (1→3) an α-L-fucose residue.
Last Modified25 June 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC31H52N2O26S
Net Charge0
Average Mass900.812
Monoisotopic Mass900.25290
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](COS(=O)(=O)O)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)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-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5_6*OSO/3=O/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a3-b1_a4-c1_c3-d2
InChIInChI=1S/C31H52N2O26S/c1-8-17(40)20(43)21(44)28(53-8)57-25-16(33-10(3)37)27(46)54-13(6-35)23(25)56-29-22(45)26(19(42)14(55-29)7-52-60(49,50)51)59-31(30(47)48)4-11(38)15(32-9(2)36)24(58-31)18(41)12(39)5-34/h8,11-29,34-35,38-46H,4-7H2,1-3H3,(H,32,36)(H,33,37)(H,47,48)(H,49,50,51)/t8-,11-,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24+,25+,26-,27+,28-,29-,31-/m0/s1
InChIKeyNWWSDBBCJHHGNB-UQTBNESHSA-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-L-Fucp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp6S-(1→4)]-β-D-GlcpNAc (CHEBI:71558) has role epitope (CHEBI:53000)
α-L-Fucp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp6S-(1→4)]-β-D-GlcpNAc (CHEBI:71558) is a amino tetrasaccharide (CHEBI:59412)
α-L-Fucp-(1→3)-[α-Neup5Ac-(2→3)-β-D-Galp6S-(1→4)]-β-D-GlcpNAc (CHEBI:71558) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-6-O-sulfo-β-D-galactopyranosyl-(1→4)-[α-L-fucopyranosyl-(1→3)]-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
α-L-Fuc-(1→3)-[α-Neu5Ac-(2→3)-β-D-Gal6S-(1→4)]-β-D-GlcNAcChEBI
N-acetyl-α-D-neuraminyl-(2→3)-6-O-sulfo-β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosamineChEBI
Neu5Acα2-3(6-O-Su)Galβ1-4(Fucα1-3)GlcNAcβChEBI
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-6-O-sulfo-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-D-glucopyranoseIUPAC
α-L-fucosyl-(1→3)-[N-acetyl-α-neuraminyl-(2→3)-6-O-sulfo-β-D-galactosyl-(1→4)]-N-acetyl-β-D-glucosamineChEBI
Neu5Aca2-3(6S)Galb1-4(Fuca1-3)GlcNAcbChEBI
Manual XrefsDatabases
G00672PEGlyTouCan
G00672PEGlyGen
Citations