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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:zofenopril
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Accession:CHEBI:78539 term browser browse the term
Definition:A proline derivative that is 4-(phenylsulfanyl)-L-proline in which the amine proton is replaced by a (2S)-3-(benzoylsulfanyl)-2-methylpropanoyl group. A prodrug for zofenoprilat.
Synonyms:exact_synonym: (4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-L-proline
 related_synonym: Formula=C22H23NO4S2;   InChI=1S/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19+/m1/s1;   InChIKey=IAIDUHCBNLFXEF-MNEFBYGVSA-N;   SMILES=C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1;   zofenoprilum
 xref: CAS:81872-10-8;   Drug_Central:2866;   KEGG:D08688;   PMID:21377823;   PMID:21394524;   PMID:21888941;   PMID:22090052;   PMID:22107891;   PMID:22162922;   PMID:22455094;   PMID:22707187;   PMID:23030285;   PMID:23096377;   PMID:23552127;   PMID:23582628;   PMID:23882152;   PMID:24211724;   PMID:24415271;   PMID:24501330;   PMID:24583202;   PMID:24935917;   Reaxys:6443047;   Wikipedia:Zofenopril
 cyclic_relationship: is_conjugate_acid_of CHEBI:82601


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  CHEBI ontology 0
    role 0
      application 0
        pro-agent 0
          prodrug 0
            zofenopril 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        amino acid 0
                                          alpha-amino acid 0
                                            L-alpha-amino acid 0
                                              glutamine family amino acid 0
                                                L-proline 0
                                                  L-proline derivative 0
                                                    zofenopril 0
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