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CHEBI:62485 - α-D-GalpNAc-(1→3)-[α-L-Fucp-(1→2)]-β-D-Galp-(1→3)-β-D-GlcpNAc

Default Structure
ChEBI IDCHEBI:62485
ChEBI Nameα-D-GalpNAc-(1→3)-[α-L-Fucp-(1→2)]-β-D-Galp-(1→3)-β-D-GlcpNAc
Stars
ASCII Namealpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc
DefinitionAn α-D-GalpNAc-(1→3)-[α-L-Fucp-(1→2)]-β-D-Galp-(1→3)-D-GlcpNAc having β-configuration at the reducing end anomeric centre.
Last Modified7 May 2024
SubmitterSteve
DownloadsMolfile
FormulaC28H48N2O20
Net Charge0
Average Mass732.686
Monoisotopic Mass732.28004
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/4,4,3/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4/a3-b1_b2-c1_b3-d1
InChIInChI=1S/C28H48N2O20/c1-7-15(36)20(41)21(42)27(44-7)50-24-23(49-26-13(29-8(2)34)19(40)16(37)10(4-31)46-26)18(39)12(6-33)47-28(24)48-22-14(30-9(3)35)25(43)45-11(5-32)17(22)38/h7,10-28,31-33,36-43H,4-6H2,1-3H3,(H,29,34)(H,30,35)/t7-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21-,22+,23-,24+,25+,26+,27-,28-/m0/s1
InChIKeyOEMMSBBXHGIOBY-OTKPJKPSSA-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.
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
ChEBI Ontology
Outgoing Relation(s)
α-D-GalpNAc-(1→3)-[α-L-Fucp-(1→2)]-β-D-Galp-(1→3)-β-D-GlcpNAc (CHEBI:62485) has role epitope (CHEBI:53000)
α-D-GalpNAc-(1→3)-[α-L-Fucp-(1→2)]-β-D-Galp-(1→3)-β-D-GlcpNAc (CHEBI:62485) is a α-D-GalpNAc-(1→3)-[α-L-Fucp-(1→2)]-β-D-Galp-(1→3)-D-GlcpNAc (CHEBI:62451)
Incoming Relation(s)
α-L-Fucp-(1→2)-[α-D-GalpNAc-(1→3)]-β-D-Galp-(1→3)-β-D-GlcpNAc-yl group (CHEBI:88106) is substituent group from α-D-GalpNAc-(1→3)-[α-L-Fucp-(1→2)]-β-D-Galp-(1→3)-β-D-GlcpNAc (CHEBI:62485)
IUPAC Name 
2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-[α-L-fucopyranosyl-(1→2)]-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-[6-deoxy-α-L-galactopyranosyl-(1→2)]-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranoseIUPAC
blood group A antigen type 1ChEBI
N-acetyl-α-D-galactosaminyl-(1→3)-[α-L-fucosyl-(1→2)]-β-D-galactosyl-(1→3)-N-acetyl-β-D-glucosamineChEBI
O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1→3)-O-[6-deoxy-α-L-galactopyranosyl-(1→2)]-O-β-D-galactopyranosyl-(1→3)-2-(acetylamino)-2-deoxy-β-D-glucopyranoseChEBI
GalNAca1-3(Fuca1-2)Galb1-3GlcNAcbChEBI
GalNAcα1,3(Fucα1,2)Galβ1,3GlcNAcβChEBI
Manual XrefsDatabases
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Citations