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spironolactone - Ontology Report - Rat Genome Database

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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:spironolactone
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Accession:CHEBI:9241 term browser browse the term
Definition:A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7.
Synonyms:exact_synonym: 7alpha-(acetylsulfanyl)-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone
 related_synonym: Formula=C24H32O4S;   InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1;   InChIKey=LXMSZDCAJNLERA-ZHYRCANASA-N;   SMILES=[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]33CCC(=O)O3)[C@]1([H])[C@@H](CC1=CC(=O)CC[C@]21C)SC(C)=O;   espironolactona;   spironolactonum;   spironolattone
 alt_id: CHEBI:45692
 xref: CAS:52-01-7;   DrugBank:DB00421;   Drug_Central:2475;   HMDB:HMDB0014565;   KEGG:C07310;   KEGG:D00443
 xref_mesh: MESH:D013148
 xref: PDBeChem:SNL;   PMID:11300427;   Patent:US3013012;   Reaxys:57767;   Wikipedia:Spironolactone

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  CHEBI ontology 0
    role 0
      biological role 0
        xenobiotic 0
          spironolactone 0
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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
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      oxo steroid 0
                                        3-oxo steroid 0
                                          3-oxo-Delta(4) steroid 0
                                            spironolactone 0
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