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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	5-[5-(ethylsulfonyl)-2-hydroxyanilino]-5-oxopentanoic acid

ChEBI ID	CHEBI:228503

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H17NO6S

Net Charge

Average Mass

315.340

Monoisotopic Mass

315.07766

InChI

InChI=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)

InChIKey

YRJAELNBBGRWGV-UHFFFAOYSA-N

SMILES

S(=O)(=O)(C1=CC(NC(=O)CCCC(O)=O)=C(O)C=C1)CC

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	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