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CHEBI:63773 - 4-[4-(3,5-dioxohexyl)phenylcarbamoyl]butyric acid

ChEBI IDCHEBI:63773
ChEBI Name4-[4-(3,5-dioxohexyl)phenylcarbamoyl]butyric acid
Stars
DefinitionA carbamoyl derivative of butyric acid which includes a 1,3-diketone functionality.
Last Modified5 September 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H21NO5
Net Charge0
Average Mass319.357
Monoisotopic Mass319.14197
SMILESCC(=O)CC(=O)CCc1ccc(NC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C17H21NO5/c1-12(19)11-15(20)10-7-13-5-8-14(9-6-13)18-16(21)3-2-4-17(22)23/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,18,21)(H,22,23)
InChIKeyKWUITAARNKUOMJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
4-[4-(3,5-dioxohexyl)phenylcarbamoyl]butyric acid (CHEBI:63773) has functional parent butyric acid (CHEBI:30772)
4-[4-(3,5-dioxohexyl)phenylcarbamoyl]butyric acid (CHEBI:63773) has role hapten (CHEBI:59174)
4-[4-(3,5-dioxohexyl)phenylcarbamoyl]butyric acid (CHEBI:63773) is a β-diketone (CHEBI:67265)
IUPAC Name 
5-{[4-(3,5-dioxohexyl)phenyl]amino}-5-oxopentanoic acid
Registry NumbersSources
Reaxys:14611056Reaxys
Citations