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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:cholesta-1,4,22-trien-3-one
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Accession:CHEBI:68398 term browser browse the term
Definition:A 3-oxo steroid that is cholestan-3-one having double bonds at positions 1, 4 and 22. It is isolated from the Hainan soft coral Dendronephthya studeri.
Synonyms:exact_synonym: (22E)-cholesta-1,4,22-trien-3-one
 related_synonym: Formula=C27H40O;   InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,13,15,17-19,22-25H,7,9-12,14,16H2,1-5H3/b8-6+/t19-,22+,23-,24+,25+,26+,27-/m1/s1;   InChIKey=AJWONNNXQUONDT-UAJHHUEASA-N;   SMILES=[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\\C=C\\CC(C)C
 xref: PMID:21192715;   Reaxys:21306701


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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            cholesta-1,4,22-trien-3-one 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
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      ketone 0
                                        oxo steroid 0
                                          3-oxo steroid 0
                                            3-oxo-Delta(1) steroid 0
                                              cholesta-1,4,22-trien-3-one 0
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