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CHEBI:71628 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc6S

ChEBI IDCHEBI:71628
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc6S
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc6S
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 sulfated at O-6 and is also carrying a fucosyl residue at the 3-position.
Last Modified27 June 2023
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](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@H](O)O[C@@H]3COS(=O)(=O)O)[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_6*OSO/3=O/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/C31H52N2O26S/c1-8-17(40)20(43)21(44)28(53-8)57-25-16(33-10(3)37)27(46)54-14(7-52-60(49,50)51)23(25)56-29-22(45)26(19(42)13(6-35)55-29)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
InChIKeyXPOHDUXJYBKJGT-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-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc6S (CHEBI:71628) has role epitope (CHEBI:53000)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc6S (CHEBI:71628) is a amino tetrasaccharide (CHEBI:59412)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc6S (CHEBI:71628) is a glucosamine oligosaccharide (CHEBI:22485)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc6S (CHEBI:71628) is a oligosaccharide sulfate (CHEBI:37909)
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-β-6-O-sulfo-D-glucopyranose
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-6-O-sulfo-β-D-glucopyranoseIUPAC
α-N-acetylneuraminyl-(2→3)-β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-6O-sulfo-β-D-glucosamineChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc6SChEBI
Neu5Acα2-3Galβ1-4(Fucα1-3)(6OSO3)GlcNAcβChEBI
Neu5Aca2-3Galb1-4(Fuca1-3)(6S)GlcNAcbChEBI
O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→4)-O-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-(acetylamino)-2-deoxy-β-D-glucopyranose, 6-(hydrogen sulfate)ChEBI
Manual XrefsDatabases
G80722USGlyTouCan
G80722USGlyGen
Citations