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CHEBI:44395 - N-acetyl-β-D-galactosamine 6-sulfate

ChEBI IDCHEBI:44395
ChEBI NameN-acetyl-β-D-galactosamine 6-sulfate
Stars
ASCII NameN-acetyl-beta-D-galactosamine 6-sulfate
DefinitionA galactosamine sulfate that is N-acetyl-β-D-galactosamine in which the hydroxy group at position 6 has been converted into its sulfate derivative.
Secondary ChEBI IDsCHEBI:44380, CHEBI:44392
Last Modified4 May 2020
DownloadsMolfile
FormulaC8H15NO9S
Net Charge0
Average Mass301.273
Monoisotopic Mass301.04675
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](COS(=O)(=O)O)O[C@H]1O
InChIInChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1
InChIKeyWJFVEEAIYIOATH-JAJWTYFOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-β-D-galactosamine 6-sulfate (CHEBI:44395) is a galactosamine sulfate (CHEBI:24155)
N-acetyl-β-D-galactosamine 6-sulfate (CHEBI:44395) is conjugate acid of N-acetyl-β-D-galactosamine 6-sulfate(1−) (CHEBI:63270)
Incoming Relation(s)
β-D-GlcpA-(1→3)-β-D-GalpNAc6S (CHEBI:145588) has functional parent N-acetyl-β-D-galactosamine 6-sulfate (CHEBI:44395)
Δ4-β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:146580) has functional parent N-acetyl-β-D-galactosamine 6-sulfate (CHEBI:44395)
N-acetyl-β-D-galactosamine 6-sulfate(1−) (CHEBI:63270) is conjugate base of N-acetyl-β-D-galactosamine 6-sulfate (CHEBI:44395)
IUPAC Name 
2-acetamido-2-deoxy-6-O-sulfo-β-D-galactopyranose
Synonyms  Source
2-(acetylamino)-2-deoxy-6-O-sulfo-β-D-galactopyranoseChEBI
β-D-GalpNAc6SChEBI
Manual XrefsDatabases
C04255KEGG COMPOUND
NG6PDBeChem
NGSPDBeChem
Registry NumbersSources
CAS:157296-99-6KEGG COMPOUND
Citations