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CHEBI:61046 - N-acetyl-β-D-galactosaminyl-(1→6)-[6-O-sulfonato-β-D-glucosyl-(1→3)]-N-acetyl-β-D-galactosamine

ChEBI IDCHEBI:61046
ChEBI NameN-acetyl-β-D-galactosaminyl-(1→6)-[6-O-sulfonato-β-D-glucosyl-(1→3)]-N-acetyl-β-D-galactosamine
Stars
ASCII NameN-acetyl-beta-D-galactosaminyl-(1->6)-[6-O-sulfonato-beta-D-glucosyl-(1->3)]-N-acetyl-beta-D-galactosamine
DefinitionAn organosulfate oxoanion that is the conjugate base of N-acetyl-β-D-galactosaminyl-(1→6)-[6-O-sulfo-β-D-glucosyl-(1→3)]-N-acetyl-β-D-galactosamine, arising from deprotonation of the sulfate OH group.
Last Modified18 January 2011
SubmitterSteve
DownloadsMolfile
FormulaC22H37N2O19S
Net Charge-1
Average Mass665.600
Monoisotopic Mass665.17167
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H]1O
InChIInChI=1S/C22H38N2O19S/c1-6(26)23-11-16(31)13(28)8(3-25)41-21(11)38-4-9-15(30)19(12(20(34)40-9)24-7(2)27)43-22-18(33)17(32)14(29)10(42-22)5-39-44(35,36)37/h8-22,25,28-34H,3-5H2,1-2H3,(H,23,26)(H,24,27)(H,35,36,37)/p-1/t8-,9-,10-,11-,12-,13+,14-,15+,16-,17+,18-,19-,20-,21-,22+/m1/s1
InChIKeyNTKWKEUJYJLARJ-VNYNYHFESA-M
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-β-D-galactosaminyl-(1→6)-[6-O-sulfonato-β-D-glucosyl-(1→3)]-N-acetyl-β-D-galactosamine (CHEBI:61046) is a organosulfate oxoanion (CHEBI:58958)
N-acetyl-β-D-galactosaminyl-(1→6)-[6-O-sulfonato-β-D-glucosyl-(1→3)]-N-acetyl-β-D-galactosamine (CHEBI:61046) is conjugate base of N-acetyl-β-D-galactosaminyl-(1→6)-[6-O-sulfo-β-D-glucosyl-(1→3)]-N-acetyl-β-D-galactosamine (CHEBI:61047)
Incoming Relation(s)
sodium N-acetyl-β-D-galactosaminyl-(1→6)-[6-O-sulfonato-β-D-glucosyl-(1→3)]-N-acetyl-β-D-galactosamine (CHEBI:61045) has part N-acetyl-β-D-galactosaminyl-(1→6)-[6-O-sulfonato-β-D-glucosyl-(1→3)]-N-acetyl-β-D-galactosamine (CHEBI:61046)
N-acetyl-β-D-galactosaminyl-(1→6)-[6-O-sulfo-β-D-glucosyl-(1→3)]-N-acetyl-β-D-galactosamine (CHEBI:61047) is conjugate acid of N-acetyl-β-D-galactosaminyl-(1→6)-[6-O-sulfonato-β-D-glucosyl-(1→3)]-N-acetyl-β-D-galactosamine (CHEBI:61046)
IUPAC Name 
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→6)-[6-O-sulfonato-β-D-glucopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-galactopyranose
Synonyms  Source
β-D-GalNAc-(1→6)-[6-O-O3S-β-D-Glc-(1→3)]-β-D-GalNAc(1−)ChEBI
2-acetamido-2-deoxy-β-D-galactosyl-(1→6)-[6-O-sulfonato-β-D-glucosyl-(1→3)]-2-acetamido-2-deoxy-β-D-galactoseChEBI
β-D-GalpNAc-(1→6)-[6-O-O3S-β-D-Glcp-(1→3)]-β-D-GalpNAc(1−)ChEBI