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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:exact_synonym: ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
 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;   Formula=C30H32N2O2;   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;   InChIKey=HYPPXZBJBPSRLK-UHFFFAOYSA-N;   SMILES=CCOC(=O)C1(CCN(CC1)CCC(C#N)(c1ccccc1)c1ccccc1)c1ccccc1;   difenoxilato;   diphenoxylatum;   ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylate;   ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate
 xref: CAS:915-30-0;   DrugBank:DB01081;   Drug_Central:918;   HMDB:HMDB0015213;   KEGG:C07872;   KEGG:D07861;   LINCS:LSM-5534
 xref_mesh: MESH:D004157
 xref: Patent:US2898340;   Reaxys:503374;   Wikipedia:Diphenoxylate


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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 chr10:54,300,070...54,311,525
Ensembl chr10:54,300,048...54,311,524 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    chemical entity 19897
      group 19850
        pseudohalo group 4587
          cyano group 4587
            nitrile 4587
              diphenoxylate 1
                diphenoxylate hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    main group molecular entity 19835
                      s-block molecular entity 19669
                        hydrogen molecular entity 19651
                          hydrides 19162
                            inorganic hydride 18183
                              pnictogen hydride 18173
                                nitrogen hydride 18086
                                  azane 17891
                                    ammonia 17890
                                      organic amino compound 17890
                                        tertiary amino compound 10159
                                          tertiary amine 645
                                            difenoxin 1
                                              diphenoxylate 1
                                                diphenoxylate hydrochloride 0
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