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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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Term Annotations click to browse term
  CHEBI ontology 24513
    role 24426
      biological role 24393
        biochemical role 23782
          metabolite 23705
            cholesta-1,4,22-trien-3-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24513
    subatomic particle 24471
      composite particle 24471
        hadron 24471
          baryon 24471
            nucleon 24471
              atomic nucleus 24471
                atom 24471
                  main group element atom 24329
                    p-block element atom 24329
                      carbon group element atom 24114
                        carbon atom 24076
                          organic molecular entity 24076
                            organic group 22409
                              organic divalent group 22386
                                organodiyl group 22386
                                  carbonyl group 22371
                                    carbonyl compound 22371
                                      ketone 19055
                                        oxo steroid 10165
                                          3-oxo steroid 9723
                                            3-oxo-Delta(1) steroid 5430
                                              cholesta-1,4,22-trien-3-one 0
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