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

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ChEBI Name 4-[4-(3,5-dioxohexyl)phenylcarbamoyl]butyric acid
ChEBI ID CHEBI:63773
Definition A carbamoyl derivative of butyric acid which includes a 1,3-diketone functionality.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H21NO5
Net Charge 0
Average Mass 319.35230
Monoisotopic Mass 319.14197
InChI InChI=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)
InChIKey KWUITAARNKUOMJ-UHFFFAOYSA-N
SMILES CC(=O)CC(=O)CCc1ccc(NC(=O)CCCC(O)=O)cc1
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
14611056 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
19968282 PubMed citation Europe PMC
Last Modified
05 September 2012