5-({4-[2-(1-oxidopiperidin-1-yl)ethyl]phenyl}amino)-5-oxopentanoic acid (CHEBI:44598)

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ChEBI Name	5-({4-[2-(1-oxidopiperidin-1-yl)ethyl]phenyl}amino)-5-oxopentanoic acid

ChEBI ID	CHEBI:44598

Definition	A dicarboxylic acid monoamide of glutaric acid containing benzene and oxidopiperidine moieties; a transition state analogue hapten used to elicit catalytic antibodies 5C8 and 14B9.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C18H26N2O4

Net Charge

Average Mass

334.41000

Monoisotopic Mass

334.18926

InChI

InChI=1S/C18H26N2O4/c21-17(5-4-6-18(22)23)19-16-9-7-15(8-10-16)11-14-20(24)12-2-1-3-13-20/h7-10H,1-6,11-14H2,(H,19,21)(H,22,23)

InChIKey

RKJXWOJUCCBWSC-UHFFFAOYSA-N

SMILES

OC(=O)CCCC(=O)Nc1ccc(CC[N+]2([O-])CCCCC2)cc1

Roles Classification
Biological Role(s):	epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.

ChEBI Ontology
Outgoing	5-({4-[2-(1-oxidopiperidin-1-yl)ethyl]phenyl}amino)-5-oxopentanoic acid (CHEBI:44598) has functional parent glutaric acid (CHEBI:17859) 5-({4-[2-(1-oxidopiperidin-1-yl)ethyl]phenyl}amino)-5-oxopentanoic acid (CHEBI:44598) has role epitope (CHEBI:53000) 5-({4-[2-(1-oxidopiperidin-1-yl)ethyl]phenyl}amino)-5-oxopentanoic acid (CHEBI:44598) is a dicarboxylic acid monoamide (CHEBI:35735) 5-({4-[2-(1-oxidopiperidin-1-yl)ethyl]phenyl}amino)-5-oxopentanoic acid (CHEBI:44598) is a piperidine N-oxide (CHEBI:48724)

IUPAC Name

5-({4-[2-(1-oxidopiperidin-1-yl)ethyl]phenyl}amino)-5-oxopentanoic acid

Citation	Type	Source
10353817	PubMed citation	Europe PMC

Last Modified

01 February 2017