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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 calcium
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Accession:CHEBI:82600 term browser browse the term
Definition:An organic calcium salt that is the hemicalcium salt of zofenopril. A prodrug for zofenoprilat.
Synonyms:exact_synonym: calcium bis[(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)pyrrolidine-2-carboxylate]
 related_synonym: Formula=C44H44CaN2O8S4;   InChI=1S/2C22H23NO4S2.Ca/c2*1-15(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*2-11,15,18-19H,12-14H2,1H3,(H,25,26);/q;;+2/p-2/t2*15-,18+,19+;/m11./s1;   InChIKey=NSYUKKYYVFVMST-LETVYOFWSA-L;   SMILES=[Ca++].C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@H](C[C@H]1C([O-])=O)Sc1ccccc1.C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@H](C[C@H]1C([O-])=O)Sc1ccccc1;   SQ 26991;   Zoprace
 xref: CAS:81938-43-4;   KEGG:D03767;   PMID:2052527;   PMID:2292772;   PMID:2484083;   PMID:2533220;   PMID:8003543;   PMID:8429112;   Patent:CA2653333;   Patent:EP2041083;   Patent:US2009176860;   Patent:US2011028736;   Patent:US2011118328;   Patent:WO2007138352;   Reaxys:6466976;   Wikipedia:Zofenopril


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19821
    role 19769
      application 19481
        pro-agent 10099
          prodrug 9902
            zofenopril calcium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic ion 9147
                              organic anion 3056
                                carboxylic acid anion 2396
                                  monocarboxylic acid anion 1500
                                    zofenopril(1-) 0
                                      zofenopril calcium 0
paths to the root