EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:71054 - β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc

ChEBI IDCHEBI:71054
ChEBI Nameβ-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc
Stars
ASCII Namebeta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-alpha-D-GalpNAc
Definitionβ-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc with α-configuration at the anomeric centre of the reducing-end GalNAc residue.
Last Modified21 June 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H38N2O16
Net Charge0
Average Mass586.544
Monoisotopic Mass586.22213
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@@H](CO)O[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2112h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3/a3-b1_b4-c1
InChIInChI=1S/C22H38N2O16/c1-6(28)23-11-15(32)18(39-22-17(34)16(33)13(30)8(3-25)37-22)10(5-27)38-21(11)40-19-12(24-7(2)29)20(35)36-9(4-26)14(19)31/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13+,14+,15-,16+,17-,18-,19-,20+,21+,22+/m1/s1
InChIKeyOLSBYXSYTYMPRD-CLCYAJKZSA-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)
β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc (CHEBI:71054) is a β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc (CHEBI:71053)
Incoming Relation(s)
α-L-Fucp-(1→3)-[β-D-Galp(1→4)]-β-D-GlcpNAc-(1→3)-α-D-GalpNAc (CHEBI:146687) has functional parent β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc (CHEBI:71054)
IUPAC Name 
β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-α-D-GalNAcChEBI
Galβ1-4GlcNAcα1-3GalNAcβChEBI
β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-N-acetyl-α-D-galactosamineChEBI
Galb1-4GlcNAcb1-3GalNAcaChEBI
O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-2-(acetylamino)-2-deoxy-α-D-galactopyranoseChEBI
α-D-galactopyranose, O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-2-(acetylamino)-2-deoxy-ChEBI
Manual XrefsDatabases
G32723SLGlyTouCan
G32723SLGlyGen
Citations