ritalinic acid (CHEBI:83481)

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ChEBI Name	ritalinic acid

ChEBI ID	CHEBI:83481

Definition	A monocarboxylic acid that is phenylacetic acid substituted by a piperidin-2-yl group at position 2. It is a metabolite of the drug methylphenidate.

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

Supplier Information

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Formula

C13H17NO2

Net Charge

Average Mass

219.27960

Monoisotopic Mass

219.12593

InChI

InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)

InChIKey

INGSNVSERUZOAK-UHFFFAOYSA-N

SMILES

OC(=O)C(C1CCCCN1)c1ccccc1

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	drug metabolite marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.

ChEBI Ontology
Outgoing	ritalinic acid (CHEBI:83481) has role drug metabolite (CHEBI:49103) ritalinic acid (CHEBI:83481) has role marine xenobiotic metabolite (CHEBI:83399) ritalinic acid (CHEBI:83481) is a monocarboxylic acid (CHEBI:25384) ritalinic acid (CHEBI:83481) is a piperidines (CHEBI:26151)

IUPAC Name

phenyl(piperidin-2-yl)acetic acid

Synonym	Source
α-phenyl-2-piperidineacetic acid	ChemIDplus

Last Modified

11 November 2014