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ChEBI
> Main
CHEBI:83481 - ritalinic acid
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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.
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Molfile
Formula
C13H17NO2
Net Charge
0
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 (Br
o
nsted 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.
View more via ChEBI Ontology
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
Registry Numbers
Types
Sources
19395-41-6
CAS Registry Number
ChemIDplus
86213
Reaxys Registry Number
Reaxys
Citations
Types
Sources
22204874
PubMed citation
Europe PMC
23500822
PubMed citation
Europe PMC
24452069
PubMed citation
Europe PMC
25121992
PubMed citation
Europe PMC
Last Modified
11 November 2014