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CHEBI:183932 - N-acetyl-d-galactosamine 4-sulfate

ChEBI IDCHEBI:183932
ChEBI NameN-acetyl-d-galactosamine 4-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H15NO9S
Net Charge0
Average Mass301.273
Monoisotopic Mass301.04675
SMILESCC(=O)N[C@@H](C=O)[C@@H](O)[C@@H](OS(=O)(=O)O)[C@H](O)CO
WURCSWURCS=2.0/1,1,0/[o2112h_2*NCC/3=O_4*OSO/3=O/3=O]/1/
InChIInChI=1S/C8H15NO9S/c1-4(12)9-5(2-10)7(14)8(6(13)3-11)18-19(15,16)17/h2,5-8,11,13-14H,3H2,1H3,(H,9,12)(H,15,16,17)/t5-,6+,7+,8-/m0/s1
InChIKeyRKFMAQNDSSSRTH-OSMVPFSASA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-d-galactosamine 4-sulfate (CHEBI:183932) is a hexose (CHEBI:18133)
IUPAC Name 
[(2R,3R,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl] hydrogen sulate
Manual XrefsDatabases
C16265KEGG COMPOUND
149290ChemSpider
Registry NumbersSources
CAS:45233-43-0ChemIDplus