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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 chr19:15,195,514...15,239,827
Ensembl chr19:15,033,108...15,239,821
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Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      biological role 19764
        biochemical role 19313
          metabolite 19294
            xenobiotic metabolite 14053
              marine xenobiotic metabolite 3974
                ritalinic acid 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic group 18537
                              organic divalent group 18530
                                organodiyl group 18530
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      carboxylic acid 18114
                                        monocarboxylic acid 17476
                                          ritalinic acid 1
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