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CHEBI:228503 - 5-[5-(ethylsulfonyl)-2-hydroxyanilino]-5-oxopentanoic acid

ChEBI IDCHEBI:228503
ChEBI Name5-[5-(ethylsulfonyl)-2-hydroxyanilino]-5-oxopentanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H17NO6S
Net Charge0
Average Mass315.347
Monoisotopic Mass315.07766
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)CCCC(=O)O)c1
InChIInChI=1S/C13H17NO6S/c1-2-21(19,20)9-6-7-11(15)10(8-9)14-12(16)4-3-5-13(17)18/h6-8,15H,2-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyYRJAELNBBGRWGV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
5-[5-(ethylsulfonyl)-2-hydroxyanilino]-5-oxopentanoic acid (CHEBI:228503) is a anilide (CHEBI:13248)
IUPAC Name 
5-(5-ethylsulonyl-2-hydroxyanilino)-5-oxopentanoic acid
Manual XrefsDatabases
2089982ChemSpider