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CHEBI:149052 - α-D-GalpNAc-(1→4)-β-D-GalNAc

ChEBI IDCHEBI:149052
ChEBI Nameα-D-GalpNAc-(1→4)-β-D-GalNAc
Stars
ASCII Namealpha-D-GalpNAc-(1->4)-beta-D-GalNAc
DefinitionAn amino disaccharide consisting of a 2-acetamido-2-deoxy-α-D-galactopyranosyl residue and a 2-acetamido-2-deoxy-β-D-galactopyranosyl residue joined by a (1→4) glycosidic bond.
Last Modified10 April 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H28N2O11
Net Charge0
Average Mass424.403
Monoisotopic Mass424.16931
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/2,2,1/[a2112h-1b_1-5_2*NCC/3=O][a2112h-1a_1-5_2*NCC/3=O]/1-2/a4-b1
InChIInChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11+,12-,13-,14+,15-,16-/m1/s1
InChIKeyCDOJPCSDOXYJJF-IEBDCOEKSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GalpNAc-(1→4)-β-D-GalNAc (CHEBI:149052) is a acetamides (CHEBI:22160)
α-D-GalpNAc-(1→4)-β-D-GalNAc (CHEBI:149052) is a amino disaccharide (CHEBI:22480)
IUPAC Names 
GalNAc(a1-4)b-GalNAc
2-acetamido-4-O-(2-acetamido-2-deoxy-α-D-galactopyranosyl)-2-deoxy-β-D-galactopyranose
Synonyms  Source
2-acetamido-2-deoxy-α-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-galacto-hexopyranoseIUPAC
N-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
Manual XrefsDatabases
G30781KGGlyTouCan
G30781KGGlyGen