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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:diphenoxylate
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Accession:CHEBI:4639 term browser browse the term
Definition:A piperidinecarboxylate ester that is the ethyl ester of difenoxin.
Synonyms:related_synonym: 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-isonipecotic acid ethyl ester;   2,2-diphenyl-4-(4-carbethoxy-4-phenylpiperidino)butyronitrile;   4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile;   difenoxilato;   diphenoxylatum;   ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylate;   ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate;   ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
 xref: CAS:915-30-0;   DrugBank:DB01081;   HMDB:HMDB0015213
 xref_mesh: MESH:D004157
 xref: Patent:US2898340;   Reaxys:503374;   drugcentral:918;   kegg.compound:C07872;   kegg.drug:D07861;   lincs.smallmolecule:LSM-5534;   wikipedia.en:Diphenoxylate
 chemrof_formula: C30H32N2O2
 chemrof_smiles: CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
 chemrof_inchikey: HYPPXZBJBPSRLK-UHFFFAOYSA-N
 chemrof_inchi: InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3
 cyclic_relationship: has_functional_parent CHEBI:4534


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diphenoxylate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Tp53 tumor protein p53 affects activity ISO Diphenoxylate affects the activity of TP53 protein CTD PMID:35435491 NCBI chr10:54,798,871...54,810,300
Ensembl chr10:54,798,851...54,810,299 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    chemical entity 20872
      group 20774
        pseudohalo group 4800
          cyano group 4798
            nitrile 4798
              diphenoxylate 1
                diphenoxylate hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            heteroorganic entity 20201
                              organochalcogen compound 19822
                                organooxygen compound 19713
                                  ester 17841
                                    carboxylic ester 17347
                                      ethyl ester 6137
                                        diphenoxylate 1
                                          diphenoxylate hydrochloride 0
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