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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:ritalinic acid
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Accession:CHEBI:83481 term browser browse the term
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.
Synonyms:exact_synonym: phenyl(piperidin-2-yl)acetic acid
 related_synonym: Formula=C13H17NO2;   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;   alpha-phenyl-2-piperidineacetic acid
 xref: CAS:19395-41-6
 xref_mesh: MESH:C009189
 xref: PMID:22204874;   PMID:23500822;   PMID:24452069;   PMID:25121992;   Reaxys:86213



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ritalinic acid term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ces1d carboxylesterase 1D increases chemical synthesis
multiple interactions
ISO CES1 protein results in increased chemical synthesis of ritalinic acid
[CES1 protein results in increased hydrolysis of Methylphenidate] which results in increased chemical synthesis of ritalinic acid
CTD PMID:20097249 NCBI chr19:13,873,490...13,912,035
Ensembl chr19:13,796,623...13,912,035
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Term Annotations click to browse term
  CHEBI ontology 19918
    role 19894
      biological role 19892
        biochemical role 19588
          metabolite 19574
            xenobiotic metabolite 15278
              marine xenobiotic metabolite 4100
                ritalinic acid 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19918
    subatomic particle 19916
      composite particle 19916
        hadron 19916
          baryon 19916
            nucleon 19916
              atomic nucleus 19916
                atom 19916
                  main group element atom 19866
                    p-block element atom 19866
                      carbon group element atom 19811
                        carbon atom 19806
                          organic molecular entity 19806
                            organic group 18995
                              organic divalent group 18969
                                organodiyl group 18969
                                  carbonyl group 18922
                                    carbonyl compound 18922
                                      carboxylic acid 18646
                                        monocarboxylic acid 17984
                                          ritalinic acid 1
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