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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 Annotations click to browse term
  CHEBI ontology 0
    role 0
      application 0
        pro-agent 0
          prodrug 0
            zofenopril calcium 0
Path 2
Term Annotations click to browse term
  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
                        alkaline earth molecular entity 0
                          calcium molecular entity 0
                            elemental calcium 0
                              calcium ion 0
                                calcium cation 0
                                  calcium(2+) 0
                                    calcium salt 0
                                      organic calcium salt 0
                                        zofenopril calcium 0
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