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CHEBI:62518 - α-D-GalpNAc-(1→3)-β-D-Galp-(1→3)-D-GalNAc-ol

ChEBI IDCHEBI:62518
ChEBI Nameα-D-GalpNAc-(1→3)-β-D-Galp-(1→3)-D-GalNAc-ol
Stars
ASCII Namealpha-D-GalpNAc-(1->3)-beta-D-Galp-(1->3)-D-GalNAc-ol
DefinitionA glycoside consisting of N-acetyl-D-galactosaminitol having an N-acetyl-α-D-galactosaminyl-(1→3)-β-D-galactosyl group attached at the 3-position.
Last Modified13 April 2021
SubmitterSteve
DownloadsMolfile
FormulaC22H40N2O16
Net Charge0
Average Mass588.560
Monoisotopic Mass588.23778
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@H](CO)NC(C)=O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3/a3-b1_b3-c1
InChIInChI=1S/C22H40N2O16/c1-7(29)23-9(3-25)19(14(32)10(31)4-26)39-22-18(36)20(16(34)12(6-28)38-22)40-21-13(24-8(2)30)17(35)15(33)11(5-27)37-21/h9-22,25-28,31-36H,3-6H2,1-2H3,(H,23,29)(H,24,30)/t9-,10+,11+,12+,13+,14-,15-,16-,17+,18+,19+,20-,21+,22-/m0/s1
InChIKeyBGMVEFVQHYRGTF-DHOLGAKPSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GalpNAc-(1→3)-β-D-Galp-(1→3)-D-GalNAc-ol (CHEBI:62518) has functional parent N-acetyl-D-galactosaminitol (CHEBI:53480)
α-D-GalpNAc-(1→3)-β-D-Galp-(1→3)-D-GalNAc-ol (CHEBI:62518) is a glycoside (CHEBI:24400)
α-D-GalpNAc-(1→3)-β-D-Galp-(1→3)-D-GalNAc-ol (CHEBI:62518) is a glycosyl alditol derivative (CHEBI:63424)
IUPAC Name 
2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-D-galactitol
Synonyms  Source
GalNAc(α1→3)Gal-(β1→3)GalNAcOHChEBI
N-acetyl-α-D-galactosaminyl-(1→3)-β-D-galactosyl-(1→3)-N-acetyl-D-galactosaminitolChEBI
α-D-GalNAc-(1→3)-β-D-Gal-(1→3)-D-GalNAc-OHChEBI
α-D-GalpNAc-(1→3)-β-D-Galp-(1→3)-D-GalNAc-OHChEBI
α-D-GalNAc-(1→3)-β-D-Gal-(1→3)-D-GalNAc-olChEBI
Manual XrefsDatabases
G32968SRGlyTouCan
G32968SRGlyGen
Citations