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CHEBI:228590 - 3,3-dimethyl-5-oxo-5-(2-piperidinoanilino)pentanoic acid

ChEBI IDCHEBI:228590
ChEBI Name3,3-dimethyl-5-oxo-5-(2-piperidinoanilino)pentanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26N2O3
Net Charge0
Average Mass318.417
Monoisotopic Mass318.19434
SMILESCC(C)(CC(=O)O)CC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C18H26N2O3/c1-18(2,13-17(22)23)12-16(21)19-14-8-4-5-9-15(14)20-10-6-3-7-11-20/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyZRWHJXWOTJWLCY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
3,3-dimethyl-5-oxo-5-(2-piperidinoanilino)pentanoic acid (CHEBI:228590) is a piperidines (CHEBI:26151)
IUPAC Name 
3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoic acid
Manual XrefsDatabases
2087938ChemSpider