CHEBI:62451 - α-D-GalpNAc-(1→3)-[α-L-Fucp-(1→2)]-β-D-Galp-(1→3)-D-GlcpNAc

ChEBI IDCHEBI:62451
ChEBI Nameα-D-GalpNAc-(1→3)-[α-L-Fucp-(1→2)]-β-D-Galp-(1→3)-D-GlcpNAc
Stars
ASCII Namealpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-D-GlcpNAc
DefinitionA branched amino tetrasaccharide comprising N-acetyl-D-glucosamine at the reducing end with a N-acetyl-α-D-galactosaminyl-(1→3)-[α-L-fucosyl-(1→2)]-β-D-galactosyl moiety attached at the 3-position.
Last Modified13 April 2021
SubmitterSteve
DownloadsMolfile
FormulaC28H48N2O20
Net Charge0
Average Mass732.686
Monoisotopic Mass732.28004
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)OC(O)[C@@H]3NC(C)=O)[C@@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/4,4,3/[a2122h-1x_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-QVCBXWJVSA-N
Roles Classification
Biological Role:
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)-D-GlcpNAc (CHEBI:62451) has role antigen (CHEBI:59132)
α-D-GalpNAc-(1→3)-[α-L-Fucp-(1→2)]-β-D-Galp-(1→3)-D-GlcpNAc (CHEBI:62451) is a amino tetrasaccharide (CHEBI:59412)
α-D-GalpNAc-(1→3)-[α-L-Fucp-(1→2)]-β-D-Galp-(1→3)-D-GlcpNAc (CHEBI:62451) is a galactosamine oligosaccharide (CHEBI:22484)
α-D-GalpNAc-(1→3)-[α-L-Fucp-(1→2)]-β-D-Galp-(1→3)-D-GlcpNAc (CHEBI:62451) is a glucosamine oligosaccharide (CHEBI:22485)
Incoming Relation(s)
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)
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-D-glucopyranose
Synonyms  Source
α-D-GalNAc-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-D-GlcNAcChEBI
N-acetyl-α-D-galactosaminyl-(1→3)-[α-L-fucosyl-(1→2)]-β-D-galactosyl-(1→3)-N-acetyl-D-glucosamineChEBI
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-D-glucopyranoseIUPAC
(Gal)1 (GalNAc)1 (GlcNAc)1 (LFuc)1KEGG GLYCAN
Manual XrefsDatabases
G00358KEGG GLYCAN
G58507AZGlyTouCan
G58507AZGlyGen
Registry NumbersSources
Reaxys:1417804Reaxys
Citations