Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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
go back to main search page
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


show annotations for term's descendants           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 240
    role 240
      biological role 240
        biochemical role 201
          metabolite 194
            cholesta-1,4,22-trien-3-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 240
    subatomic particle 240
      composite particle 240
        hadron 240
          baryon 240
            nucleon 240
              atomic nucleus 240
                atom 240
                  main group element atom 233
                    p-block element atom 233
                      carbon group element atom 222
                        carbon atom 221
                          organic molecular entity 221
                            organic group 155
                              organic divalent group 154
                                organodiyl group 154
                                  carbonyl group 154
                                    carbonyl compound 154
                                      ketone 48
                                        oxo steroid 23
                                          3-oxo steroid 21
                                            3-oxo-Delta(1) steroid 3
                                              cholesta-1,4,22-trien-3-one 0
paths to the root