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CHEBI:44391 - N-acetyl-β-D-galactosamine 4-sulfate

ChEBI IDCHEBI:44391
ChEBI NameN-acetyl-β-D-galactosamine 4-sulfate
Stars
ASCII NameN-acetyl-beta-D-galactosamine 4-sulfate
DefinitionA galactosamine sulfate that is N-acetyl-β-D-galactosamine in which the hydroxy group at position 4 has been converted into its sulfate derivative.
Secondary ChEBI IDsCHEBI:40846, CHEBI:44388
Last Modified21 April 2021
DownloadsMolfile
FormulaC8H15NO9S
Net Charge0
Average Mass301.273
Monoisotopic Mass301.04675
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@@H](OS(=O)(=O)O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8-/m1/s1
InChIKeyWHCJUIFHMJFEFZ-UIAUGNHASA-N
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-β-D-galactosamine 4-sulfate (CHEBI:44391) has functional parent N-acetyl-β-D-galactosamine (CHEBI:28497)
N-acetyl-β-D-galactosamine 4-sulfate (CHEBI:44391) is a galactosamine sulfate (CHEBI:24155)
Incoming Relation(s)
α-L-IdopA-(1→3)-β-D-GalpNAc4S (CHEBI:145592) has functional parent N-acetyl-β-D-galactosamine 4-sulfate (CHEBI:44391)
β-D-GalpNAc4S-(1→4)-D-GlcNAc (CHEBI:147909) has functional parent N-acetyl-β-D-galactosamine 4-sulfate (CHEBI:44391)
β-D-GalpNAc4S-(1→4)-β-D-GlcpNAc (CHEBI:149323) has functional parent N-acetyl-β-D-galactosamine 4-sulfate (CHEBI:44391)
β-D-GlcpA-(1→3)-β-D-GalpNAc4S (CHEBI:145591) has functional parent N-acetyl-β-D-galactosamine 4-sulfate (CHEBI:44391)
IUPAC Name 
2-acetamido-2-deoxy-4-O-sulfo-β-D-galactopyranose
Synonyms  Source
2-deoxy-2-acetamido-β-D-galactose-4-sulfatePDBeChem
N-acetyl-β-D-galactosamine 4-sulfuric acidChEBI
2-(acetylamino)-2-deoxy-4-O-sulfo-β-D-galactopyranosePDBeChem
N-acetyl-β-D-galactosamine 4-sulphateChEBI
β-D-GalpNAc4SChEBI
Manual XrefsDatabases
ASGPDBeChem
FDB022238FooDB
HMDB0000781HMDB
DB01872DrugBank
CPD-12516MetaCyc
Citations