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CHEBI:60241 - β-D-Gal-(1→3)-α-D-GalNAc-OBn

ChEBI IDCHEBI:60241
ChEBI Nameβ-D-Gal-(1→3)-α-D-GalNAc-OBn
Stars
ASCII Namebeta-D-Gal-(1->3)-alpha-D-GalNAc-OBn
DefinitionA β-D-galactosyl-(1→3)-N-acetyl-α-D-galactosaminide disaccharide consisting of benzyl 2-acetamido-2-deoxy-D-galactoside having a β-D-galactosyl residue attached at the 3-position.
Last Modified24 October 2017
SubmitterSteve
DownloadsMolfile
FormulaC21H31NO11
Net Charge0
Average Mass473.475
Monoisotopic Mass473.18971
SMILESCC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H31NO11/c1-10(25)22-14-19(33-21-18(29)17(28)15(26)12(7-23)32-21)16(27)13(8-24)31-20(14)30-9-11-5-3-2-4-6-11/h2-6,12-21,23-24,26-29H,7-9H2,1H3,(H,22,25)/t12-,13-,14-,15+,16+,17+,18-,19-,20+,21+/m1/s1
InChIKeyMYDRTQFLXCNCAG-YOADDMFFSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Gal-(1→3)-α-D-GalNAc-OBn (CHEBI:60241) is a β-D-galactosyl-(1→3)-N-acetyl-α-D-galactosaminide (CHEBI:133470)
IUPAC Name 
benzyl β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-α-D-galactopyranoside
Synonyms  Source
β-D-Galp-(1→3)-α-D-GalpNAc-OBnChEBI
benzyl 2-acetamido-2-deoxy-3-O-β-D-galactopyranosyl-α-D-galactopyranosideIUPAC
Galβ1-3GalNAcαOBnChEBI
Registry NumbersSources
Beilstein:1276665Beilstein
Citations