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CHEBI:62515 - α-D-GalpNAc-(1→3)-β-D-Galp-(1→4)-D-GlcpNAc

ChEBI IDCHEBI:62515
ChEBI Nameα-D-GalpNAc-(1→3)-β-D-Galp-(1→4)-D-GlcpNAc
Stars
ASCII Namealpha-D-GalpNAc-(1->3)-beta-D-Galp-(1->4)-D-GlcpNAc
DefinitionA amino trisaccharide consisting of N-acetyl-D-glucosamine having an N-acetyl-α-D-galactosaminyl-(1→3)-β-D-galactosyl group attached at the 4-position.
Last Modified13 April 2021
SubmitterSteve
DownloadsMolfile
FormulaC22H38N2O16
Net Charge0
Average Mass586.544
Monoisotopic Mass586.22213
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](NC(C)=O)C(O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3/a4-b1_b3-c1
InChIInChI=1S/C22H38N2O16/c1-6(28)23-11-16(33)18(10(5-27)36-20(11)35)39-22-17(34)19(14(31)9(4-26)38-22)40-21-12(24-7(2)29)15(32)13(30)8(3-25)37-21/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
InChIKeyLJYGCZXFBOCZHA-JGIIURCWSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GalpNAc-(1→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:62515) is a amino trisaccharide (CHEBI:59266)
α-D-GalpNAc-(1→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:62515) is a galactosamine oligosaccharide (CHEBI:22484)
α-D-GalpNAc-(1→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:62515) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
N-acetyl-α-D-galactosaminyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosamineChEBI
α-D-GalNAc-(1→3)-β-D-Gal-(1→4)-D-GlcNAcChEBI
(Gal)1 (GalNAc)1 (GlcNAc)1KEGG GLYCAN
αGalNAc(α1→3)Gal-(β1→4)GlcNAcChEBI
Manual XrefsDatabases
G00939KEGG GLYCAN
G53410DDGlyTouCan
G53410DDGlyGen
Citations