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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:cinitapride
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Accession:CHEBI:135642 term browser browse the term
Synonyms:related_synonym: cinitapride tartrate;   paxapride;   rogastril
 xref: CAS:66564-14-5;   HMDB:HMDB0015698
 xref_mesh: MESH:C045316
 xref: drugcentral:652
 chemrof_formula: C21H30N4O4
 chemrof_smiles: CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(CC2CC=CCC2)CC1
 chemrof_inchi: InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)
 chemrof_inchikey: ZDLBNXXKDMLZMF-UHFFFAOYSA-N


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cinitapride term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2c79 cytochrome P450, family 2, subfamily c, polypeptide 79 increases metabolic processing ISO CYP2C8 protein results in increased metabolism of cinitapride CTD PMID:17437965
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases metabolic processing ISO CYP3A4 protein results in increased metabolism of cinitapride CTD PMID:17437965 NCBI chr12:14,321,771...14,343,886
Ensembl chr12:14,321,771...14,343,857 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    chemical entity 20872
      group 20774
        nitrogen group 12603
          nitro group 11194
            nitro compound 11194
              C-nitro compound 10946
                cinitapride 2
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
                                  ether 17642
                                    aromatic ether 16780
                                      cinitapride 2
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