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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:3-ketocholest-4-en-26-al
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Accession:CHEBI:83746 term browser browse the term
Definition:A 26-oxo steroid resulting from the oxidation of 3-oxocholest-4-en-26-ol to the corresponding aldehyde.
Synonyms:related_synonym: 3-oxocholest-4-en-26-al;   Formula=C27H42O2;   InChI=1S/C27H42O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h16-19,22-25H,5-15H2,1-4H3/t18?,19-,22+,23-,24+,25+,26+,27-/m1/s1;   InChIKey=BGGFPZPRXRJKGG-XVENTEFESA-N;   SMILES=CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C=O
 xref: MetaCyc:CPD-13888;   PMID:20545858


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    chemical entity 19806
      group 19765
        organic group 18936
          3-oxo-Delta(4)-steroid group 9159
            3-oxo-Delta(4) steroid 9159
              3-ketocholest-4-en-26-al 0
                (25R)-3-ketocholest-4-en-26-al 0
                (25S)-3-ketocholest-4-en-26-al 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            heteroorganic entity 19460
                              organochalcogen compound 19224
                                organooxygen compound 19141
                                  carbon oxoacid 18612
                                    carboxylic acid 18609
                                      carboacyl group 17677
                                        univalent carboacyl group 17677
                                          formyl group 8999
                                            aldehyde 8999
                                              steroid aldehyde 92
                                                3-ketocholest-4-en-26-al 0
                                                  (25R)-3-ketocholest-4-en-26-al 0
                                                  (25S)-3-ketocholest-4-en-26-al 0
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