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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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        biochemical role 19282
          metabolite 19263
            xenobiotic metabolite 14043
              marine xenobiotic metabolite 3969
                ritalinic acid 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic acid 18061
                                        monocarboxylic acid 17407
                                          ritalinic acid 1
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