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CHEBI:68446 - β-D-GalpNAc-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc

ChEBI IDCHEBI:68446
ChEBI Nameβ-D-GalpNAc-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc
Stars
ASCII Namebeta-D-GalpNAc-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc
DefinitionAn amino trisaccharide comprising an acetamido-β-D-galactose and an α-L-fucose attached to an acetamidoglucose by 1→4 and 1→3 linkages, respectively. β-D-GalpNAc-(1→4)-[α-L-Fucp-(1→3)]-D-GlcpNAc with β configuration at the anomeric centre.
Last Modified13 May 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H38N2O15
Net Charge0
Average Mass570.545
Monoisotopic Mass570.22722
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3/a3-b1_a4-c1
InChIInChI=1S/C22H38N2O15/c1-6-13(29)16(32)17(33)22(35-6)39-19-12(24-8(3)28)20(34)36-10(5-26)18(19)38-21-11(23-7(2)27)15(31)14(30)9(4-25)37-21/h6,9-22,25-26,29-34H,4-5H2,1-3H3,(H,23,27)(H,24,28)/t6-,9+,10+,11+,12+,13+,14-,15+,16+,17-,18+,19+,20+,21-,22-/m0/s1
InChIKeyUZZNPRAXUPVEEY-GPLCWDIKSA-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.
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)
β-D-GalpNAc-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc (CHEBI:68446) has role epitope (CHEBI:53000)
β-D-GalpNAc-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc (CHEBI:68446) is a amino trisaccharide (CHEBI:59266)
β-D-GalpNAc-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc (CHEBI:68446) is a glucosamine oligosaccharide (CHEBI:22485)
β-D-GalpNAc-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc (CHEBI:68446) is a β-D-GalpNAc-(1→4)-[α-L-Fucp-(1→3)]-D-GlcpNAc (CHEBI:61864)
IUPAC Name 
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-[α-L-fucopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranoseIUPAC
β-D-GalNAc-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAcChEBI
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-[α-L-fucopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranoseChEBI
2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-(acetylamino)-2-deoxy-β-D-glucopyranoseIUPAC
GalNAcβ1-4(Fucα1-3)GlcNAcβChEBI
GalNAcb1-4(Fuca1-3)GlcNAcbChEBI
Manual XrefsDatabases
G96865DJGlyTouCan
G96865DJGlyGen
Citations